(4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one

C17H13F3O2S — CID 132538532

IUPAC(4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one
SMILESO=C1C[C@H](SC(F)(F)F)[C@@H](c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C17H13F3O2S/c18-17(19,20)23-14-10-15(21)22-16(14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,16H,10H2/t14-,16+/m0/s1
InChIKeyFXRLOAXLVIHURW-GOEBONIOSA-N
MW338.35 g/mol
LogP4.96
Rot. Bonds3

About (4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one

(4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one (PubChem CID 132538532) has the molecular formula C17H13F3O2S and a molecular weight of 338.35 g/mol. Its IUPAC name is (4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one
PubChem CID132538532
Molecular FormulaC17H13F3O2S
Molecular Weight338.35 g/mol
Exact Mass338.06
IUPAC Name(4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one
SMILESO=C1C[C@H](SC(F)(F)F)[C@@H](c2ccc(-c3ccccc3)cc2)O1
InChIInChI=1S/C17H13F3O2S/c18-17(19,20)23-14-10-15(21)22-16(14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,16H,10H2/t14-,16+/m0/s1
InChIKeyFXRLOAXLVIHURW-GOEBONIOSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one 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

2-[2-(4-Fluorophenyl)ethylsulfanyl]-3-[4-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]phenyl]propanoic acid
CID 25094684
Tetramic acid, 74
CID 91899483
(4S,5S)-3-methylidene-5-(4-methylphenyl)-4-phenyloxolan-2-one
CID 52943062
(4S,5S)-3-methylidene-4-phenyl-5-[4-(trifluoromethyl)phenyl]oxolan-2-one
CID 52944457
[(2S,4S)-3,3-difluoro-4-phenylmethoxythiolan-2-yl]methyl benzoate
CID 11175969
(4R,5R)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one
CID 24740266
(4R,5S)-4,5-diphenyl-5-(trifluoromethyl)oxolan-2-one
CID 25207990
(4S,5S)-4,5-Diphenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581391
(4S,5S)-4-(4-Fluorophenyl)-5-phenyl-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581404
(4S,5S)-5-Phenyl-4-(p-tolyl)-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581406
(4S,5S)-4-Phenyl-5-(p-tolyl)-5-(trifluoromethyl)dihydrofuran-2(3H)-one
CID 71581411
(4S,5R)-4,5-Diphenyl-5-(trifluoromethyl)tetrahydrofuran-2-one
CID 90431915

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one?
The IUPAC name of (4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one (CID 132538532) is (4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one.
What is the SMILES notation for (4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one?
The canonical SMILES for (4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one is O=C1C[C@H](SC(F)(F)F)[C@@H](c2ccc(-c3ccccc3)cc2)O1.
What is the InChIKey of (4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one?
The InChIKey is FXRLOAXLVIHURW-GOEBONIOSA-N. The full InChI is InChI=1S/C17H13F3O2S/c18-17(19,20)23-14-10-15(21)22-16(14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14,16H,10H2/t14-,16+/m0/s1.
What are the key properties of (4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one?
(4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one has a molecular weight of 338.35 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(4-phenylphenyl)-4-(trifluoromethylsulfanyl)oxolan-2-one is sourced from PubChem (CID 132538532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).