(4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol

C13H15F3O2S — CID 121336369

IUPAC(4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol
SMILESC[C@@H](O)[C@@H]1CSC(c2ccc(C(F)(F)F)cc2)C1O
InChIInChI=1S/C13H15F3O2S/c1-7(17)10-6-19-12(11(10)18)8-2-4-9(5-3-8)13(14,15)16/h2-5,7,10-12,17-18H,6H2,1H3/t7-,10+,11?,12?/m1/s1
InChIKeyPVBKFFZVSRGNOO-JENKOEBGSA-N
MW292.32 g/mol
LogP2.85
Rot. Bonds2

About (4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol

(4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol (PubChem CID 121336369) has the molecular formula C13H15F3O2S and a molecular weight of 292.32 g/mol. Its IUPAC name is (4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol.

Molecular Properties

Compound Name(4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol
PubChem CID121336369
Molecular FormulaC13H15F3O2S
Molecular Weight292.32 g/mol
Exact Mass292.07
IUPAC Name(4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol
SMILESC[C@@H](O)[C@@H]1CSC(c2ccc(C(F)(F)F)cc2)C1O
InChIInChI=1S/C13H15F3O2S/c1-7(17)10-6-19-12(11(10)18)8-2-4-9(5-3-8)13(14,15)16/h2-5,7,10-12,17-18H,6H2,1H3/t7-,10+,11?,12?/m1/s1
InChIKeyPVBKFFZVSRGNOO-JENKOEBGSA-N
XLogP2.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
CID 11063442
2-methyl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 64908369
(1S)-1-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
CID 29079331
(1S)-1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanamine
CID 124831457
1-[(3R)-3,4-dimethylcyclopentyl]-4-(trifluoromethyl)benzene
CID 118423626
1-[1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
CID 112627963
1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]azetidine
CID 166468953
(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286
2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 10082090
1-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]ethanone
CID 93025354
(1R,2S)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171160389
2-[4-oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]propanoic acid
CID 42795735

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol?
The IUPAC name of (4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol (CID 121336369) is (4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol.
What is the SMILES notation for (4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol?
The canonical SMILES for (4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol is C[C@@H](O)[C@@H]1CSC(c2ccc(C(F)(F)F)cc2)C1O.
What is the InChIKey of (4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol?
The InChIKey is PVBKFFZVSRGNOO-JENKOEBGSA-N. The full InChI is InChI=1S/C13H15F3O2S/c1-7(17)10-6-19-12(11(10)18)8-2-4-9(5-3-8)13(14,15)16/h2-5,7,10-12,17-18H,6H2,1H3/t7-,10+,11?,12?/m1/s1.
What are the key properties of (4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol?
(4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol has a molecular weight of 292.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-1-hydroxyethyl]-2-[4-(trifluoromethyl)phenyl]thiolan-3-ol is sourced from PubChem (CID 121336369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).