(3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one

C12H11F3O2 — CID 10586354

IUPAC(3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one
SMILESC[C@@]1(c2ccccc2)C[C@@H](C(F)(F)F)C(=O)O1
InChIInChI=1S/C12H11F3O2/c1-11(8-5-3-2-4-6-8)7-9(10(16)17-11)12(13,14)15/h2-6,9H,7H2,1H3/t9-,11+/m1/s1
InChIKeyQEYUVRFCKKMNMW-KOLCDFICSA-N
MW244.21 g/mol
LogP3.03
Rot. Bonds1

About (3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one

(3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one (PubChem CID 10586354) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is (3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one
PubChem CID10586354
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name(3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one
SMILESC[C@@]1(c2ccccc2)C[C@@H](C(F)(F)F)C(=O)O1
InChIInChI=1S/C12H11F3O2/c1-11(8-5-3-2-4-6-8)7-9(10(16)17-11)12(13,14)15/h2-6,9H,7H2,1H3/t9-,11+/m1/s1
InChIKeyQEYUVRFCKKMNMW-KOLCDFICSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,5S)-5-methyl-5-phenyl-3-(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 (3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one (CID 10586354) is (3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one is C[C@@]1(c2ccccc2)C[C@@H](C(F)(F)F)C(=O)O1.
What is the InChIKey of (3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one?
The InChIKey is QEYUVRFCKKMNMW-KOLCDFICSA-N. The full InChI is InChI=1S/C12H11F3O2/c1-11(8-5-3-2-4-6-8)7-9(10(16)17-11)12(13,14)15/h2-6,9H,7H2,1H3/t9-,11+/m1/s1.
What are the key properties of (3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one?
(3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one has a molecular weight of 244.21 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methyl-5-phenyl-3-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 10586354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).