[1-(trifluoromethyl)cyclopropyl]methanamine

• ChemBase ID: 801609
• Molecular Formular: C5H8F3N
• Molecular Mass: 139.1189296
• Monoisotopic Mass: 139.06088392
• SMILES: C(N)C1(CC1)C(F)(F)F
• Canonical SMILES: NCC1(CC1)C(F)(F)F
• InChI: InChI=1S/C5H8F3N/c6-5(7,8)4(3-9)1-2-4/h1-3,9H2
• InChIKey: LQOSVMQJSLKKRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(trifluoromethyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(trifluoromethyl)cyclopropyl]methanamine
• Synonyms: (1-(TRIFLUOROMETHYL)CYCLOPROPYL)METHANAMINE

Database IDs

• CAS Number: 847926-83-4

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.102585
• LogD (pH = 7.4): -1.2762895
• Log P: 0.89754635
• Molar Refractivity: 27.1914 cm^3
• Polarizability: 10.2275505 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%