3-(trifluoromethyl)cyclopentan-1-amine

• ChemBase ID: 277858
• Molecular Formular: C6H10F3N
• Molecular Mass: 153.1455096
• Monoisotopic Mass: 153.07653399
• SMILES: NC1CCC(C1)C(F)(F)F
• Canonical SMILES: NC1CCC(C1)C(F)(F)F
• InChI: InChI=1S/C6H10F3N/c7-6(8,9)4-1-2-5(10)3-4/h4-5H,1-3,10H2
• InChIKey: XDOIOCJYPKXXMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trifluoromethyl)cyclopentan-1-amine
• IUPAC Traditional name: 3-(trifluoromethyl)cyclopentan-1-amine
• Synonyms: 3-(trifluoromethyl)cyclopentanamine

Database IDs

• MDL Number: MFCD19982443
• PubChem SID: 164333768
• PubChem CID: 54594772

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7341726
• LogD (pH = 7.4): -1.4405447
• Log P: 1.2935565
• Molar Refractivity: 31.7385 cm^3
• Polarizability: 11.997211 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.751

Product Information

• Purity: 95%