2-fluoro-2-(trifluoromethyl)oxirane

C3H2F4O — CID 88593725

IUPAC2-fluoro-2-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(F)CO1
InChIInChI=1S/C3H2F4O/c4-2(1-8-2)3(5,6)7/h1H2
InChIKeyDHGQMHOMRCABJL-UHFFFAOYSA-N
MW130.04 g/mol
LogP1.24
Rot. Bonds

About 2-fluoro-2-(trifluoromethyl)oxirane

2-fluoro-2-(trifluoromethyl)oxirane (PubChem CID 88593725) has the molecular formula C3H2F4O and a molecular weight of 130.04 g/mol. Its IUPAC name is 2-fluoro-2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-fluoro-2-(trifluoromethyl)oxirane
PubChem CID88593725
Molecular FormulaC3H2F4O
Molecular Weight130.04 g/mol
Exact Mass130.00
IUPAC Name2-fluoro-2-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(F)CO1
InChIInChI=1S/C3H2F4O/c4-2(1-8-2)3(5,6)7/h1H2
InChIKeyDHGQMHOMRCABJL-UHFFFAOYSA-N
XLogP1.24
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.04
LogP ≤ 51.24
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-fluoro-2-(trifluoromethyl)oxirane?
The IUPAC name of 2-fluoro-2-(trifluoromethyl)oxirane (CID 88593725) is 2-fluoro-2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-fluoro-2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-fluoro-2-(trifluoromethyl)oxirane is FC(F)(F)C1(F)CO1.
What is the InChIKey of 2-fluoro-2-(trifluoromethyl)oxirane?
The InChIKey is DHGQMHOMRCABJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O/c4-2(1-8-2)3(5,6)7/h1H2.
What are the key properties of 2-fluoro-2-(trifluoromethyl)oxirane?
2-fluoro-2-(trifluoromethyl)oxirane has a molecular weight of 130.04 g/mol, XLogP of 1.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(trifluoromethyl)oxirane is sourced from PubChem (CID 88593725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).