1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine

• ChemBase ID: 293480
• Molecular Formular: C10H10F3N
• Molecular Mass: 201.1883096
• Monoisotopic Mass: 201.07653399
• SMILES: NC1(CC1)c1ccc(cc1)C(F)(F)F
• Canonical SMILES: FC(c1ccc(cc1)C1(N)CC1)(F)F
• InChI: InChI=1S/C10H10F3N/c11-10(12,13)8-3-1-7(2-4-8)9(14)5-6-9/h1-4H,5-6,14H2
• InChIKey: RFWYCBTXBMMOBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
• Synonyms: 1-(4-(Trifluoromethyl)phenyl)cyclopropanamine

Database IDs

• CAS Number: 474709-86-9
• MDL Number: MFCD07374475
• PubChem SID: 180679011
• PubChem CID: 53420453

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.62665236
• LogD (pH = 7.4): 0.2707627
• Log P: 2.366196
• Molar Refractivity: 47.6059 cm^3
• Polarizability: 17.708525 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%