2-[2-(trifluoromethyl)phenyl]cyclopentan-1-amine

• ChemBase ID: 245984
• Molecular Formular: C12H14F3N
• Molecular Mass: 229.2414696
• Monoisotopic Mass: 229.10783411
• SMILES: C(c1c(C2C(N)CCC2)cccc1)(F)(F)F
• Canonical SMILES: NC1CCCC1c1ccccc1C(F)(F)F
• InChI: InChI=1S/C12H14F3N/c13-12(14,15)10-6-2-1-4-8(10)9-5-3-7-11(9)16/h1-2,4,6,9,11H,3,5,7,16H2
• InChIKey: MTTDMGKJIKPRFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17223380
• PubChem SID: 164301894
• PubChem CID: 62801000

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.087677844
• LogD (pH = 7.4): 0.64915305
• Log P: 3.1058683
• Molar Refractivity: 56.8723 cm^3
• Polarizability: 21.27048 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.249

Product Information

• Purity: 95%