7-fluorobicyclo[2.2.1]heptan-2-amine

• ChemBase ID: 248574
• Molecular Formular: C7H12FN
• Molecular Mass: 129.1752832
• Monoisotopic Mass: 129.09537761
• SMILES: C12C(C(CC1N)CC2)F
• Canonical SMILES: NC1CC2C(C1CC2)F
• InChI: InChI=1S/C7H12FN/c8-7-4-1-2-5(7)6(9)3-4/h4-7H,1-3,9H2
• InChIKey: LINBZZJFGKMWRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164304484
• PubChem CID: 71758528

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4858062
• LogD (pH = 7.4): -2.171834
• Log P: 0.54139274
• Molar Refractivity: 33.3516 cm^3
• Polarizability: 13.389537 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.185

Product Information

• Purity: null%