2-methyl-3-(trifluoromethyl)oxirane

C4H5F3O — CID 2777109

IUPAC2-methyl-3-(trifluoromethyl)oxirane
SMILESCC1OC1C(F)(F)F
InChIInChI=1S/C4H5F3O/c1-2-3(8-2)4(5,6)7/h2-3H,1H3
InChIKeyCHQUINRDKAWANM-UHFFFAOYSA-N
MW126.08 g/mol
LogP1.34
Rot. Bonds

About 2-methyl-3-(trifluoromethyl)oxirane

2-methyl-3-(trifluoromethyl)oxirane (PubChem CID 2777109) has the molecular formula C4H5F3O and a molecular weight of 126.08 g/mol. Its IUPAC name is 2-methyl-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-methyl-3-(trifluoromethyl)oxirane
PubChem CID2777109
Molecular FormulaC4H5F3O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name2-methyl-3-(trifluoromethyl)oxirane
SMILESCC1OC1C(F)(F)F
InChIInChI=1S/C4H5F3O/c1-2-3(8-2)4(5,6)7/h2-3H,1H3
InChIKeyCHQUINRDKAWANM-UHFFFAOYSA-N
XLogP1.34
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-methyl-3-(trifluoromethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(trifluoromethyl)oxirane?
The IUPAC name of 2-methyl-3-(trifluoromethyl)oxirane (CID 2777109) is 2-methyl-3-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-methyl-3-(trifluoromethyl)oxirane?
The canonical SMILES for 2-methyl-3-(trifluoromethyl)oxirane is CC1OC1C(F)(F)F.
What is the InChIKey of 2-methyl-3-(trifluoromethyl)oxirane?
The InChIKey is CHQUINRDKAWANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O/c1-2-3(8-2)4(5,6)7/h2-3H,1H3.
What are the key properties of 2-methyl-3-(trifluoromethyl)oxirane?
2-methyl-3-(trifluoromethyl)oxirane has a molecular weight of 126.08 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 2777109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).