(4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one

C18H15F3O2 — CID 71581406

IUPAC(4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one
SMILESCc1ccc([C@@H]2CC(=O)O[C@@]2(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C18H15F3O2/c1-12-7-9-13(10-8-12)15-11-16(22)23-17(15,18(19,20)21)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3/t15-,17+/m0/s1
InChIKeyRBWZDBBWDYYOFN-DOTOQJQBSA-N
MW320.31 g/mol
LogP4.48
Rot. Bonds2

About (4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one

(4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one (PubChem CID 71581406) has the molecular formula C18H15F3O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is (4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one
PubChem CID71581406
Molecular FormulaC18H15F3O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name(4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one
SMILESCc1ccc([C@@H]2CC(=O)O[C@@]2(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C18H15F3O2/c1-12-7-9-13(10-8-12)15-11-16(22)23-17(15,18(19,20)21)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3/t15-,17+/m0/s1
InChIKeyRBWZDBBWDYYOFN-DOTOQJQBSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one (CID 71581406) is (4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one is Cc1ccc([C@@H]2CC(=O)O[C@@]2(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of (4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one?
The InChIKey is RBWZDBBWDYYOFN-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H15F3O2/c1-12-7-9-13(10-8-12)15-11-16(22)23-17(15,18(19,20)21)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3/t15-,17+/m0/s1.
What are the key properties of (4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one?
(4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one has a molecular weight of 320.31 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(4-methylphenyl)-5-phenyl-5-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 71581406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).