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

C4HF7O — CID 15104122

IUPAC2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane
SMILESFC(F)C1(F)OC1(F)C(F)(F)F
InChIInChI=1S/C4HF7O/c5-1(6)2(7)3(8,12-2)4(9,10)11/h1H
InChIKeyOSOYMPKUHJMRTO-UHFFFAOYSA-N
MW198.04 g/mol
LogP2.18
Rot. Bonds1

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

2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane (PubChem CID 15104122) has the molecular formula C4HF7O and a molecular weight of 198.04 g/mol. Its IUPAC name is 2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane
PubChem CID15104122
Molecular FormulaC4HF7O
Molecular Weight198.04 g/mol
Exact Mass197.99
IUPAC Name2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane
SMILESFC(F)C1(F)OC1(F)C(F)(F)F
InChIInChI=1S/C4HF7O/c5-1(6)2(7)3(8,12-2)4(9,10)11/h1H
InChIKeyOSOYMPKUHJMRTO-UHFFFAOYSA-N
XLogP2.18
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.04
LogP ≤ 52.18
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-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane?
The IUPAC name of 2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane (CID 15104122) is 2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane?
The canonical SMILES for 2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane is FC(F)C1(F)OC1(F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane?
The InChIKey is OSOYMPKUHJMRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF7O/c5-1(6)2(7)3(8,12-2)4(9,10)11/h1H.
What are the key properties of 2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane?
2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane has a molecular weight of 198.04 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-2,3-difluoro-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 15104122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).