2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane

C15H11F3O — CID 72815261

IUPAC2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane
SMILESFC(F)(F)c1ccc(C2OC2c2ccccc2)cc1
InChIInChI=1S/C15H11F3O/c16-15(17,18)12-8-6-11(7-9-12)14-13(19-14)10-4-2-1-3-5-10/h1-9,13-14H
InChIKeyFHFMLRMEWJREQB-UHFFFAOYSA-N
MW264.25 g/mol
LogP4.52
Rot. Bonds2

About 2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane

2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane (PubChem CID 72815261) has the molecular formula C15H11F3O and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane.

Molecular Properties

Compound Name2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane
PubChem CID72815261
Molecular FormulaC15H11F3O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane
SMILESFC(F)(F)c1ccc(C2OC2c2ccccc2)cc1
InChIInChI=1S/C15H11F3O/c16-15(17,18)12-8-6-11(7-9-12)14-13(19-14)10-4-2-1-3-5-10/h1-9,13-14H
InChIKeyFHFMLRMEWJREQB-UHFFFAOYSA-N
XLogP4.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane 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

Styrene Oxide
CID 7276
Dibenzyl ether
CID 7657
(S)-styrene oxide
CID 114946
(+)-Styrene oxide
CID 114705
Bis(1-phenylethyl) ether
CID 62342
2-(3-Methylphenyl)oxirane
CID 152312
2-(Naphthalen-2-yl)oxirane
CID 30333
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-4-methylene-2-phenyl-
CID 108444
cis-Stilbene oxide
CID 98511
2-(4-Methylphenyl)oxirane
CID 108111
Benzene, 1,1'-(methoxymethylene)bis-
CID 219159

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane?
The IUPAC name of 2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane (CID 72815261) is 2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane.
What is the SMILES notation for 2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane?
The canonical SMILES for 2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane is FC(F)(F)c1ccc(C2OC2c2ccccc2)cc1.
What is the InChIKey of 2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane?
The InChIKey is FHFMLRMEWJREQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O/c16-15(17,18)12-8-6-11(7-9-12)14-13(19-14)10-4-2-1-3-5-10/h1-9,13-14H.
What are the key properties of 2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane?
2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane has a molecular weight of 264.25 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[4-(trifluoromethyl)phenyl]oxirane is sourced from PubChem (CID 72815261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).