Cas no 400-35-1 ( )

  structure
  structure
Product Name: 
CAS No:400-35-1
MF:C4H5F3O3
MW:158.075912237167
CID:925207
PubChem ID:228892
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • [3,6-bis(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol,hydrochloride
    • A863000
    • SY016101
    • 4,4,4-trifluoro-3-hydroxy-butyric acid
    • DB-023917
    • NSC-22072
    • 4,4,4-trifluoro-3-hydroxy-butanoic acid
    • A18154
    • 86884-21-1
    • SY014726
    • NSC22072
    • 4,4,4-Trifluoro-3-hydroxybutanoicAcid
    • SB44819
    • (+/-)-3-Hydroxy-4,4,4-trifluorobutanoic acid
    • (S)-4,4,4-Trifluoro-3-hydroxybutyricacid
    • 3-Hydroxy-4,4,4-trifluorobutyric acid, 3-Hydroxy-3-(trifluoromethyl)propanoic acid
    • DB-062665
    • (S)-4,4,4-Trifluoro-3-hydroxybutanoic Acid
    • MFCD00088012
    • AKOS016843301
    • 4,4,4-trifluoro-3-hydroxybutanoic acid
    • DS-014603
    • (Rs)-4,4,4-trifluoro-3-hydroxybutyric acid
    • 400-35-1
    • 3-hydroxy-4,4,4-trifluorobutyric acid
    • SB45819
    • CS-0183072
    • 3-Hydroxy-4,4,4-trifluorobutanoic acid
    • MFCD03093017
    • SY270521
    • (3S)-3-Hydroxy-4,4,4-trifluorobutanoic acid
    • (R/S)-4,4,4-trifluoro-3-hydroxybutyric acid, AldrichCPR
    • (3S)-3-Hydroxy-4,4,4-trifluorobutyric acid
    • MFCD03093018
    • 4,4,4-trifluoro-3-hydroxybutyric acid
    • AKOS000282143
    • SCHEMBL321641
    • (3R)-3-Hydroxy-4,4,4-trifluorobutanoic acid
    • SB84044
    • CS-11331
    • (3R)-3-Hydroxy-4,4,4-trifluorobutyric acid
    •  
    • Inchi: 1S/C4H5F3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)
    • InChI Key: ASQMUMZEQLWJRC-UHFFFAOYSA-N
    • SMILES: FC(C(CC(=O)O)O)(F)F

Computed Properties

  • Exact Mass: 158.01907850g/mol
  • Monoisotopic Mass: 158.01907850g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 130
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 57.5?2
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