1-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine

• ChemBase ID: 269292
• Molecular Formular: C10H10F3N
• Molecular Mass: 201.1883096
• Monoisotopic Mass: 201.07653399
• SMILES: C1(CC1)(c1cc(C(F)(F)F)ccc1)N
• Canonical SMILES: FC(c1cccc(c1)C1(N)CC1)(F)F
• InChI: InChI=1S/C10H10F3N/c11-10(12,13)8-3-1-2-7(6-8)9(14)4-5-9/h1-3,6H,4-5,14H2
• InChIKey: DDCYKBUZSOJYES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
• IUPAC Traditional name: 1-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
• Synonyms: 1-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine; 1-(3-(Trifluoromethyl)phenyl)cyclopropanamine

Database IDs

• CAS Number: 503417-34-3
• MDL Number: MFCD07374480
• PubChem SID: 164325202
• PubChem CID: 43146583

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.62055
• LogD (pH = 7.4): 0.32774383
• 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

Physical Property

• Hydrophobicity(logP): 2.321

Product Information

• Purity: 95%; 95+%; 98%