2,2-difluorocycloheptan-1-amine

• ChemBase ID: 240536
• Molecular Formular: C7H13F2N
• Molecular Mass: 149.1816264
• Monoisotopic Mass: 149.10160586
• SMILES: C1(C(N)CCCCC1)(F)F
• Canonical SMILES: NC1CCCCCC1(F)F
• InChI: InChI=1S/C7H13F2N/c8-7(9)5-3-1-2-4-6(7)10/h6H,1-5,10H2
• InChIKey: SWSFVFBQIOSZJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluorocycloheptan-1-amine
• IUPAC Traditional name: 2,2-difluorocycloheptan-1-amine
• Synonyms: 2,2-difluorocycloheptan-1-amine

Database IDs

• MDL Number: MFCD23143982
• PubChem SID: 164296446
• PubChem CID: 71756575

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.67329735
• LogD (pH = 7.4): 1.0199679
• Log P: 1.6457529
• Molar Refractivity: 35.7114 cm^3
• Polarizability: 13.898079 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.212

Product Information

• Purity: 95%