7,7-difluorobicyclo[2.2.1]heptan-2-amine

• ChemBase ID: 248575
• Molecular Formular: C7H11F2N
• Molecular Mass: 147.1657464
• Monoisotopic Mass: 147.0859558
• SMILES: C1(C2C(CC1CC2)N)(F)F
• Canonical SMILES: NC1CC2C(C1CC2)(F)F
• InChI: InChI=1S/C7H11F2N/c8-7(9)4-1-2-5(7)6(10)3-4/h4-6H,1-3,10H2
• InChIKey: REKSYJSTVJQYJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7-difluorobicyclo[2.2.1]heptan-2-amine
• IUPAC Traditional name: 7,7-difluorobicyclo[2.2.1]heptan-2-amine
• Synonyms: 7,7-difluorobicyclo[2.2.1]heptan-2-amine

Database IDs

• PubChem SID: 164304485
• PubChem CID: 71758529

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0536597
• LogD (pH = 7.4): -1.6889246
• Log P: 0.97209954
• Molar Refractivity: 33.5976 cm^3
• Polarizability: 13.20062 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.028

Product Information

• Purity: null%