2-(trifluoromethyl)cyclopropan-1-amine

• ChemBase ID: 259105
• Molecular Formular: C4H6F3N
• Molecular Mass: 125.0923496
• Monoisotopic Mass: 125.04523386
• SMILES: C1(CC1N)C(F)(F)F
• Canonical SMILES: NC1CC1C(F)(F)F
• InChI: InChI=1S/C4H6F3N/c5-4(6,7)2-1-3(2)8/h2-3H,1,8H2
• InChIKey: UDWSAEWNKJDWHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trifluoromethyl)cyclopropan-1-amine
• IUPAC Traditional name: 2-(trifluoromethyl)cyclopropan-1-amine
• Synonyms: 2-(trifluoromethyl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD11042628
• PubChem SID: 164315015
• PubChem CID: 21291128

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7115276
• LogD (pH = 7.4): -1.8529472
• Log P: 0.46521223
• Molar Refractivity: 22.3825 cm^3
• Polarizability: 8.477042 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.382

Product Information

• Purity: 95%