N-(3,3,3-trifluoropropyl)cyclohexanamine

• ChemBase ID: 236331
• Molecular Formular: C9H16F3N
• Molecular Mass: 195.2252496
• Monoisotopic Mass: 195.12348418
• SMILES: C(CCNC1CCCCC1)(F)(F)F
• Canonical SMILES: FC(CCNC1CCCCC1)(F)F
• InChI: InChI=1S/C9H16F3N/c10-9(11,12)6-7-13-8-4-2-1-3-5-8/h8,13H,1-7H2
• InChIKey: JKKBZBOTEDTPGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12771232
• PubChem SID: 164292241
• PubChem CID: 60683699

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8421136
• LogD (pH = 7.4): 0.14676651
• Log P: 2.4753976
• Molar Refractivity: 45.6095 cm^3
• Polarizability: 17.377745 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.285

Product Information

• Purity: 95%