2-phenyl-2-(trifluoromethyl)oxirane

C9H7F3O — CID 11030560

IUPAC2-phenyl-2-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(c2ccccc2)CO1
InChIInChI=1S/C9H7F3O/c10-9(11,12)8(6-13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyJCJQTSDFRCDMGF-UHFFFAOYSA-N
MW188.15 g/mol
LogP2.47
Rot. Bonds1

About 2-phenyl-2-(trifluoromethyl)oxirane

2-phenyl-2-(trifluoromethyl)oxirane (PubChem CID 11030560) has the molecular formula C9H7F3O and a molecular weight of 188.15 g/mol. Its IUPAC name is 2-phenyl-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-phenyl-2-(trifluoromethyl)oxirane
PubChem CID11030560
Molecular FormulaC9H7F3O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name2-phenyl-2-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(c2ccccc2)CO1
InChIInChI=1S/C9H7F3O/c10-9(11,12)8(6-13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyJCJQTSDFRCDMGF-UHFFFAOYSA-N
XLogP2.47
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(trifluoromethyl)oxirane?
The IUPAC name of 2-phenyl-2-(trifluoromethyl)oxirane (CID 11030560) is 2-phenyl-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-phenyl-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-phenyl-2-(trifluoromethyl)oxirane is FC(F)(F)C1(c2ccccc2)CO1.
What is the InChIKey of 2-phenyl-2-(trifluoromethyl)oxirane?
The InChIKey is JCJQTSDFRCDMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O/c10-9(11,12)8(6-13-8)7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2-phenyl-2-(trifluoromethyl)oxirane?
2-phenyl-2-(trifluoromethyl)oxirane has a molecular weight of 188.15 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 11030560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).