Cas no 2546-63-6 (4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile)

4,4,4-Trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile is a fluorinated organic compound characterized by its unique trifluoromethyl and hydroxyl functional groups. This structure imparts high reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The presence of multiple fluorine atoms enhances its lipophilicity and metabolic stability, which is advantageous in drug design. The compound’s nitrile group offers further derivatization potential, enabling the formation of amides, acids, or heterocycles. Its trifluoromethyl moiety contributes to electron-withdrawing effects, influencing reaction pathways in fine chemical applications. Suitable for controlled fluorination reactions, this compound is handled under standard laboratory conditions, requiring appropriate safety measures due to its potential reactivity.
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile structure
2546-63-6 structure
Product Name:4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile
CAS No:2546-63-6
MF:C5H3F6NO
MW:207.073842287064
MDL:MFCD22055898
CID:1423036
PubChem ID:71357808
Update Time:2025-05-26

4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile Chemical and Physical Properties

Names and Identifiers

    • Butanenitrile, 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-
    • 4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile
    • SCHEMBL17431676
    • DTXSID70781854
    • EN300-207411
    • 2546-63-6
    • LRROJOCBCSCTQV-UHFFFAOYSA-N
    • MDL： MFCD22055898
    • Inchi： 1S/C5H3F6NO/c6-4(7,8)3(13,1-2-12)5(9,10)11/h13H,1H2
    • InChI Key： LRROJOCBCSCTQV-UHFFFAOYSA-N
    • SMILES： FC(C(C(F)(F)F)(CC#N)O)(F)F

Computed Properties

  • Exact Mass: 207.01189
  • Monoisotopic Mass: 207.01188269g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 218
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 44?2

Experimental Properties

  • PSA: 44.02

4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-207411-0.05g
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile
 2546-63-6
0.05g
 $182.0 2023-09-16
Enamine
EN300-207411-0.1g
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile
 2546-63-6
0.1g
 $272.0 2023-09-16
Enamine
EN300-207411-0.25g
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile
 2546-63-6
0.25g
 $389.0 2023-09-16
Enamine
EN300-207411-0.5g
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile
 2546-63-6
0.5g
 $613.0 2023-09-16
Enamine
EN300-207411-1.0g
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile
 2546-63-6
1g
 $0.0 2023-06-08
Enamine
EN300-207411-2.5g
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile
 2546-63-6
2.5g
 $1539.0 2023-09-16
Enamine
EN300-207411-5.0g
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile
 2546-63-6
5.0g
 $2277.0 2023-02-22
Enamine
EN300-207411-10.0g
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile
 2546-63-6
10.0g
 $3376.0 2023-02-22
Enamine
EN300-207411-1g
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile
 2546-63-6
1g
 $785.0 2023-09-16
Enamine
EN300-207411-5g
4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile
 2546-63-6
5g
 $2277.0 2023-09-16

4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile Related Literature

2546-63-6 (4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanenitrile) Related Products

Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
煙臺朗裕新材料科技有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk