Basic information
- CAS
64396-09-4- Standard SMILES
C[C@@H](c1ccc(O)cc1)[C@H](CC(F)(F)F)c1ccc(O)cc1- InChIKey
KTUJPJJUMKZGCV-ZBEGNZNMSA-N- Molecular formula
- C17H17F3O2
- Average molar mass
- 310.31 g/mol
- Monoisotopic mass
- 310.11806427
Overview
Terfluranol is a small molecule drug. Terfluranol has a monoisotopic molecular weight of 310.12 Da.
Names & identifiers
- Preferred name
- Terfluranol
- IUPAC
- 4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol
- English name
- Terfluranol
- Molecular formula
- C17H17F3O2
- Molecular weight
- 310.31
Names & synonyms
Terfluranol64396-09-4UNII-WUF1DL156GTerfluranol [INN:BAN]4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenolWUF1DL156G4,4'-((1R,2S)-1-Methyl-2-(2,2,2-trifluoroethyl)ethylene)diphenolTERFLURANOL [INN]orb2695550orb2695555SCHEMBL2109222CHEMBL2105462
Show more names
4,4'-[(1R,2S)-1-Methyl-2-(2,2,2-trifluoroethyl)ethylene]bisphenolPhenol, 4,4'-[1-methyl-2-(2,2,2-trifluoroethyl)-1,2-ethanediyl]bis-, [R-(R*,S*)]- (9CI)
DTXSID60214601KTUJPJJUMKZGCV-ZBEGNZNMSA-NNS00122981T200996T201001Q272928774,4'-[(2R,3S)-5,5,5-Trifluoropentane-2,3-diyl]diphenol
Database identifiers
- CAS
64396-09-4- PubChem CID
- 3085293
- DTXSID
DTXSID60214601- ChEMBL
CHEMBL2105462- UNII
- WUF1DL156G
- Nikkaji
- J19.672J
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- FDA UNII
- 1 DL156G · WUF1DL156G
Chemistry & industry
Applications
UsesTerfluranol is a bibenzyl derivative. Terfluranol is an antineoplastic agent[1].
Suppliers1 total
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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