Cas no 835629-56-6 (Butanoic acid, 4,4,4-trifluoro-3-methyl-, (3R)-)

(3R)-4,4,4-Trifluoro-3-methylbutanoic acid is a chiral fluorinated carboxylic acid derivative characterized by its stereospecific (R)-configuration at the 3-position and a trifluoromethyl group at the terminal carbon. This compound exhibits enhanced metabolic stability and lipophilicity due to the strategic incorporation of fluorine atoms, making it valuable in pharmaceutical and agrochemical research. The stereocenter and fluorine substitution pattern contribute to its potential as a building block for bioactive molecules, particularly in the design of enzyme inhibitors or receptor modulators. Its unique electronic properties, stemming from the strong electron-withdrawing effect of the CF3 group, influence reactivity in synthetic transformations. The compound's structural features enable precise control over molecular conformation and intermolecular interactions in target applications.
Butanoic acid, 4,4,4-trifluoro-3-methyl-, (3R)- structure
835629-56-6 structure
Product Name:Butanoic acid, 4,4,4-trifluoro-3-methyl-, (3R)-
CAS No:835629-56-6
MF:C5H7F3O2
MW:156.103092432022
CID:669059
PubChem ID:7022336
Update Time:2025-07-02

Butanoic acid, 4,4,4-trifluoro-3-methyl-, (3R)- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 4,4,4-trifluoro-3-methyl-, (3R)-
    • CS-0377029
    • (R)-4,4,4-trifluoro-3-methylbutanoic acid
    • 835629-56-6
    • (3R)-4,4,4-trifluoro-3-methylbutanoic acid
    • SCHEMBL1902452
    • Inchi： 1S/C5H7F3O2/c1-3(2-4(9)10)5(6,7)8/h3H,2H2,1H3,(H,9,10)/t3-/m1/s1
    • InChI Key： FFZMMBKGTNDVRX-GSVOUGTGSA-N
    • SMILES： FC([C@H](C)CC(=O)O)(F)F

Computed Properties

  • Exact Mass: 156.03981395g/mol
  • Monoisotopic Mass: 156.03981395g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 129
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.6
  • Topological Polar Surface Area: 37.3?2

Butanoic acid, 4,4,4-trifluoro-3-methyl-, (3R)- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1447699-100mg
(R)-4,4,4-Trifluoro-3-methylbutanoic acid
 835629-56-6 98%
100mg
 ￥3388.00 2024-07-28
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1447699-500mg
(R)-4,4,4-Trifluoro-3-methylbutanoic acid
 835629-56-6 98%
500mg
 ￥10920.00 2024-07-28
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1447699-1g
(R)-4,4,4-Trifluoro-3-methylbutanoic acid
 835629-56-6 98%
1g
 ￥21000.00 2024-07-28

Butanoic acid, 4,4,4-trifluoro-3-methyl-, (3R)- Related Literature

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