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

C4F8O — CID 12520922

IUPAC2,3-difluoro-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(F)OC1(F)C(F)(F)F
InChIInChI=1S/C4F8O/c5-1(3(7,8)9)2(6,13-1)4(10,11)12
InChIKeySVENBAIZELMMEQ-UHFFFAOYSA-N
MW216.03 g/mol
LogP2.47
Rot. Bonds

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

2,3-difluoro-2,3-bis(trifluoromethyl)oxirane (PubChem CID 12520922) has the molecular formula C4F8O and a molecular weight of 216.03 g/mol. Its IUPAC name is 2,3-difluoro-2,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2,3-difluoro-2,3-bis(trifluoromethyl)oxirane
PubChem CID12520922
Molecular FormulaC4F8O
Molecular Weight216.03 g/mol
Exact Mass215.98
IUPAC Name2,3-difluoro-2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(F)OC1(F)C(F)(F)F
InChIInChI=1S/C4F8O/c5-1(3(7,8)9)2(6,13-1)4(10,11)12
InChIKeySVENBAIZELMMEQ-UHFFFAOYSA-N
XLogP2.47
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
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 2,3-difluoro-2,3-bis(trifluoromethyl)oxirane?
The IUPAC name of 2,3-difluoro-2,3-bis(trifluoromethyl)oxirane (CID 12520922) is 2,3-difluoro-2,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2,3-difluoro-2,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2,3-difluoro-2,3-bis(trifluoromethyl)oxirane is FC(F)(F)C1(F)OC1(F)C(F)(F)F.
What is the InChIKey of 2,3-difluoro-2,3-bis(trifluoromethyl)oxirane?
The InChIKey is SVENBAIZELMMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F8O/c5-1(3(7,8)9)2(6,13-1)4(10,11)12.
What are the key properties of 2,3-difluoro-2,3-bis(trifluoromethyl)oxirane?
2,3-difluoro-2,3-bis(trifluoromethyl)oxirane has a molecular weight of 216.03 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 12520922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).