N-(3,3,3-trifluoropropyl)cyclopentanamine

• ChemBase ID: 236329
• Molecular Formular: C8H14F3N
• Molecular Mass: 181.1986696
• Monoisotopic Mass: 181.10783411
• SMILES: C(CCNC1CCCC1)(F)(F)F
• Canonical SMILES: FC(CCNC1CCCC1)(F)F
• InChI: InChI=1S/C8H14F3N/c9-8(10,11)5-6-12-7-3-1-2-4-7/h7,12H,1-6H2
• InChIKey: KOWYWFNVZONFCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3,3-trifluoropropyl)cyclopentanamine
• IUPAC Traditional name: N-(3,3,3-trifluoropropyl)cyclopentanamine
• Synonyms: N-(3,3,3-trifluoropropyl)cyclopentanamine

Database IDs

• MDL Number: MFCD12811534
• PubChem SID: 164292239
• PubChem CID: 60686967

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2487375
• LogD (pH = 7.4): -0.17412286
• Log P: 2.0551584
• Molar Refractivity: 41.0085 cm^3
• Polarizability: 15.575293 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.726

Product Information

• Purity: 95%