2,3-bis(trifluoromethyl)oxirane

C4H2F6O — CID 12508112

IUPAC2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1OC1C(F)(F)F
InChIInChI=1S/C4H2F6O/c5-3(6,7)1-2(11-1)4(8,9)10/h1-2H
InChIKeyDMILFILPEIMZDC-UHFFFAOYSA-N
MW180.05 g/mol
LogP1.88
Rot. Bonds

About 2,3-bis(trifluoromethyl)oxirane

2,3-bis(trifluoromethyl)oxirane (PubChem CID 12508112) has the molecular formula C4H2F6O and a molecular weight of 180.05 g/mol. Its IUPAC name is 2,3-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2,3-bis(trifluoromethyl)oxirane
PubChem CID12508112
Molecular FormulaC4H2F6O
Molecular Weight180.05 g/mol
Exact Mass180.00
IUPAC Name2,3-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1OC1C(F)(F)F
InChIInChI=1S/C4H2F6O/c5-3(6,7)1-2(11-1)4(8,9)10/h1-2H
InChIKeyDMILFILPEIMZDC-UHFFFAOYSA-N
XLogP1.88
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 51.88
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-bis(trifluoromethyl)oxirane?
The IUPAC name of 2,3-bis(trifluoromethyl)oxirane (CID 12508112) is 2,3-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 2,3-bis(trifluoromethyl)oxirane?
The canonical SMILES for 2,3-bis(trifluoromethyl)oxirane is FC(F)(F)C1OC1C(F)(F)F.
What is the InChIKey of 2,3-bis(trifluoromethyl)oxirane?
The InChIKey is DMILFILPEIMZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O/c5-3(6,7)1-2(11-1)4(8,9)10/h1-2H.
What are the key properties of 2,3-bis(trifluoromethyl)oxirane?
2,3-bis(trifluoromethyl)oxirane has a molecular weight of 180.05 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 12508112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).