2-(trifluoromethyl)cyclopentan-1-amine

• ChemBase ID: 179092
• Molecular Formular: C6H10F3N
• Molecular Mass: 153.1455096
• Monoisotopic Mass: 153.07653399
• SMILES: C1C(C(CC1)N)C(F)(F)F
• Canonical SMILES: NC1CCCC1C(F)(F)F
• InChI: InChI=1S/C6H10F3N/c7-6(8,9)4-2-1-3-5(4)10/h4-5H,1-3,10H2
• InChIKey: CPYZHYSCBMUTQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trifluoromethyl)cyclopentan-1-amine
• IUPAC Traditional name: 2-(trifluoromethyl)cyclopentan-1-amine
• Synonyms: 2-(trifluoromethyl)cyclopentan-1-amine; 2-(Trifluoromethyl)cyclopentanamine

Database IDs

• CAS Number: 1260678-84-9
• MDL Number: MFCD11848000
• PubChem SID: 164235002
• PubChem CID: 53403824

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8939412
• LogD (pH = 7.4): -1.3706621
• Log P: 1.3056906
• Molar Refractivity: 31.5845 cm^3
• Polarizability: 11.997228 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.951

Product Information

• Purity: 95%

DETAILS

Toronto Research Chemicals - T791235

A haloalkyl substituted cyclopentanamine.