2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine

• ChemBase ID: 264427
• Molecular Formular: C10H10F3N
• Molecular Mass: 201.1883096
• Monoisotopic Mass: 201.07653399
• SMILES: C1(CC1N)c1cc(C(F)(F)F)ccc1
• Canonical SMILES: NC1CC1c1cccc(c1)C(F)(F)F
• InChI: InChI=1S/C10H10F3N/c11-10(12,13)7-3-1-2-6(4-7)8-5-9(8)14/h1-4,8-9H,5,14H2
• InChIKey: IJUBEDIWPVVNLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
• IUPAC Traditional name: 2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
• Synonyms: 2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine

Database IDs

• MDL Number: MFCD12068326
• PubChem SID: 164320337
• PubChem CID: 43810350

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.78057724
• LogD (pH = 7.4): 0.07485347
• Log P: 2.2167308
• Molar Refractivity: 47.6703 cm^3
• Polarizability: 17.640877 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.361

Product Information

• Purity: 95%