1-methyl-2-(trifluoromethyl)aziridine

C4H6F3N — CID 14965861

IUPAC1-methyl-2-(trifluoromethyl)aziridine
SMILESCN1CC1C(F)(F)F
InChIInChI=1S/C4H6F3N/c1-8-2-3(8)4(5,6)7/h3H,2H2,1H3
InChIKeyGKPDMKPUPYILET-UHFFFAOYSA-N
MW125.09 g/mol
LogP0.86
Rot. Bonds

About 1-methyl-2-(trifluoromethyl)aziridine

1-methyl-2-(trifluoromethyl)aziridine (PubChem CID 14965861) has the molecular formula C4H6F3N and a molecular weight of 125.09 g/mol. Its IUPAC name is 1-methyl-2-(trifluoromethyl)aziridine.

Molecular Properties

Compound Name1-methyl-2-(trifluoromethyl)aziridine
PubChem CID14965861
Molecular FormulaC4H6F3N
Molecular Weight125.09 g/mol
Exact Mass125.05
IUPAC Name1-methyl-2-(trifluoromethyl)aziridine
SMILESCN1CC1C(F)(F)F
InChIInChI=1S/C4H6F3N/c1-8-2-3(8)4(5,6)7/h3H,2H2,1H3
InChIKeyGKPDMKPUPYILET-UHFFFAOYSA-N
XLogP0.86
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-2-(trifluoromethyl)aziridine 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 1-methyl-2-(trifluoromethyl)aziridine?
The IUPAC name of 1-methyl-2-(trifluoromethyl)aziridine (CID 14965861) is 1-methyl-2-(trifluoromethyl)aziridine.
What is the SMILES notation for 1-methyl-2-(trifluoromethyl)aziridine?
The canonical SMILES for 1-methyl-2-(trifluoromethyl)aziridine is CN1CC1C(F)(F)F.
What is the InChIKey of 1-methyl-2-(trifluoromethyl)aziridine?
The InChIKey is GKPDMKPUPYILET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N/c1-8-2-3(8)4(5,6)7/h3H,2H2,1H3.
What are the key properties of 1-methyl-2-(trifluoromethyl)aziridine?
1-methyl-2-(trifluoromethyl)aziridine has a molecular weight of 125.09 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(trifluoromethyl)aziridine is sourced from PubChem (CID 14965861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).