cyclopropyl[3-(trifluoromethyl)phenyl]methanamine

• ChemBase ID: 246087
• Molecular Formular: C11H12F3N
• Molecular Mass: 215.2148896
• Monoisotopic Mass: 215.09218405
• SMILES: C(c1cc(C(C2CC2)N)ccc1)(F)(F)F
• Canonical SMILES: NC(c1cccc(c1)C(F)(F)F)C1CC1
• InChI: InChI=1S/C11H12F3N/c12-11(13,14)9-3-1-2-8(6-9)10(15)7-4-5-7/h1-3,6-7,10H,4-5,15H2
• InChIKey: NSVKYISBQIIXQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl[3-(trifluoromethyl)phenyl]methanamine
• IUPAC Traditional name: cyclopropyl[3-(trifluoromethyl)phenyl]methanamine
• Synonyms: cyclopropyl[3-(trifluoromethyl)phenyl]methanamine

Database IDs

• MDL Number: MFCD05192009
• PubChem SID: 164301997
• PubChem CID: 4430239

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18714617
• LogD (pH = 7.4): 0.59109163
• Log P: 2.817207
• Molar Refractivity: 52.1173 cm^3
• Polarizability: 19.521769 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.73

Product Information

• Purity: 95%