2-(trifluoromethyl)cycloheptan-1-amine

• ChemBase ID: 246063
• Molecular Formular: C8H14F3N
• Molecular Mass: 181.1986696
• Monoisotopic Mass: 181.10783411
• SMILES: C(C1C(N)CCCCC1)(F)(F)F
• Canonical SMILES: NC1CCCCCC1C(F)(F)F
• InChI: InChI=1S/C8H14F3N/c9-8(10,11)6-4-2-1-3-5-7(6)12/h6-7H,1-5,12H2
• InChIKey: GTBQJLHESXHBSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trifluoromethyl)cycloheptan-1-amine
• IUPAC Traditional name: 2-(trifluoromethyl)cycloheptan-1-amine
• Synonyms: 2-(trifluoromethyl)cycloheptan-1-amine

Database IDs

• MDL Number: MFCD23144209
• PubChem SID: 164301973
• PubChem CID: 71757868

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.053463
• LogD (pH = 7.4): -0.5301885
• Log P: 2.146169
• Molar Refractivity: 40.7865 cm^3
• Polarizability: 15.57538 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.069

Product Information

• Purity: null%