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

• ChemBase ID: 248466
• Molecular Formular: C12H14F3N
• Molecular Mass: 229.2414696
• Monoisotopic Mass: 229.10783411
• SMILES: C(c1ccc(C2(N)CCCC2)cc1)(F)(F)F
• Canonical SMILES: FC(c1ccc(cc1)C1(N)CCCC1)(F)F
• InChI: InChI=1S/C12H14F3N/c13-12(14,15)10-5-3-9(4-6-10)11(16)7-1-2-8-11/h3-6H,1-2,7-8,16H2
• InChIKey: GJXBCMBARUYZGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09910053
• PubChem SID: 164304376
• PubChem CID: 19709911

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.2368408
• LogD (pH = 7.4): 0.79201704
• Log P: 3.2553334
• Molar Refractivity: 56.8079 cm^3
• Polarizability: 21.338758 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.439

Product Information

• Purity: 95%