Cas no 135154-88-0 ((S)-4,4,4-Trifluorobutane-1,3-diol)

(S)-4,4,4-Trifluorobutane-1,3-diol is a chiral fluorinated diol with significant utility in synthetic organic chemistry and pharmaceutical applications. Its trifluoromethyl group enhances metabolic stability and lipophilicity, making it valuable in the design of bioactive molecules. The stereospecific (S)-configuration allows for precise enantioselective synthesis, particularly in the development of pharmaceuticals and agrochemicals. The compound’s bifunctional hydroxyl groups enable versatile derivatization, facilitating its use as a building block for complex molecular architectures. Its unique structural and electronic properties contribute to improved binding affinity and selectivity in target interactions. This compound is particularly relevant in medicinal chemistry for optimizing drug candidates with enhanced pharmacokinetic profiles.
(S)-4,4,4-Trifluorobutane-1,3-diol structure
135154-88-0 structure
Product Name:(S)-4,4,4-Trifluorobutane-1,3-diol
CAS No:135154-88-0
MF:C4H7F3O2
MW:144.092392206192
MDL:MFCD03093015
CID:137337
PubChem ID:10307869
Update Time:2025-06-07

(S)-4,4,4-Trifluorobutane-1,3-diol Chemical and Physical Properties

Names and Identifiers

    • (S)-4,4,4-Trifluorobutane-1,3-diol
    • (3S)-4,4,4-TRIFLUOROBUTANE-1,3-DIOL
    • 1,3-Butanediol,4,4,4-trifluoro-, (S)- (9CI)
    • S-TFBDOL
    • DTXSID601282619
    • AKOS005063786
    • F87703
    • 135154-88-0
    • MFCD03093014
    • AKOS006237659
    • 1,3-Butanediol, 4,4,4-trifluoro-, (S)-
    • 1,3-Butanediol,4,4,4-trifluoro-,(S)-(9ci)
    • SCHEMBL14152436
    • MDL： MFCD03093015
    • Inchi： 1S/C4H7F3O2/c5-4(6,7)3(9)1-2-8/h3,8-9H,1-2H2/t3-/m0/s1
    • InChI Key： SCLIIHMYYAHRGK-VKHMYHEASA-N
    • SMILES： FC([C@H](CCO)O)(F)F

Computed Properties

  • Exact Mass: 144.04000
  • Monoisotopic Mass: 144.03981395g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 80.4
  • 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: 0.4
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 1.354
  • Boiling Point: 188.1°Cat760mmHg
  • Flash Point: 67.6°C
  • Refractive Index: 1.37
  • PSA: 40.46000
  • LogP: 0.29200

(S)-4,4,4-Trifluorobutane-1,3-diol Security Information

  • Hazard Statement： Irritant
  • Hazardous Material Identification： Xi

(S)-4,4,4-Trifluorobutane-1,3-diol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
PC0617-250mg
(3S)-4,4,4-Trifluorobutane-1,3-diol
 135154-88-0 97%
250mg
 ￡631.00 2025-02-19
abcr
AB227850-250 mg
(S)-4,4,4-Trifluorobutane-1,3-diol; .
 135154-88-0
250mg
 €271.10 2023-05-20
TRC
T898035-2.5mg
(S)-4,4,4-Trifluorobutane-1,3-diol
 135154-88-0
2.5mg
 $ 50.00 2022-06-02
TRC
T898035-5mg
(S)-4,4,4-Trifluorobutane-1,3-diol
 135154-88-0
5mg
 $ 70.00 2022-06-02
TRC
T898035-25mg
(S)-4,4,4-Trifluorobutane-1,3-diol
 135154-88-0
25mg
 $ 230.00 2022-06-02
SHENG KE LU SI SHENG WU JI SHU
sc-258096-250mg
S-TFBDOL,
 135154-88-0
250mg
 ￥2234.00 2023-09-05
SHENG KE LU SI SHENG WU JI SHU
sc-258096A-1g
S-TFBDOL,
 135154-88-0
1g
 ￥6784.00 2023-09-05
abcr
AB227850-1 g
(S)-4,4,4-Trifluorobutane-1,3-diol; .
 135154-88-0
1g
 €622.80 2023-05-20
abcr
AB227850-250mg
(S)-4,4,4-Trifluorobutane-1,3-diol, 95%; .
 135154-88-0 95%
250mg
 €304.00 2025-04-21
abcr
AB227850-1g
(S)-4,4,4-Trifluorobutane-1,3-diol, 95%; .
 135154-88-0 95%
1g
 €709.40 2025-04-21

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