2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane

C9H5F5O — CID 14874563

IUPAC2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(c2ccccc2)OC1(F)F
InChIInChI=1S/C9H5F5O/c10-8(11,12)7(9(13,14)15-7)6-4-2-1-3-5-6/h1-5H
InChIKeyMENKJNZMJJOPCS-UHFFFAOYSA-N
MW224.13 g/mol
LogP3.07
Rot. Bonds1

About 2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane

2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane (PubChem CID 14874563) has the molecular formula C9H5F5O and a molecular weight of 224.13 g/mol. Its IUPAC name is 2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
PubChem CID14874563
Molecular FormulaC9H5F5O
Molecular Weight224.13 g/mol
Exact Mass224.03
IUPAC Name2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(c2ccccc2)OC1(F)F
InChIInChI=1S/C9H5F5O/c10-8(11,12)7(9(13,14)15-7)6-4-2-1-3-5-6/h1-5H
InChIKeyMENKJNZMJJOPCS-UHFFFAOYSA-N
XLogP3.07
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 53.07
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 2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane?
The IUPAC name of 2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane (CID 14874563) is 2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane.
What is the SMILES notation for 2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane?
The canonical SMILES for 2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane is FC(F)(F)C1(c2ccccc2)OC1(F)F.
What is the InChIKey of 2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane?
The InChIKey is MENKJNZMJJOPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5O/c10-8(11,12)7(9(13,14)15-7)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane?
2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane has a molecular weight of 224.13 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 14874563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).