2-fluorocycloheptan-1-amine

• ChemBase ID: 240535
• Molecular Formular: C7H14FN
• Molecular Mass: 131.1911632
• Monoisotopic Mass: 131.11102767
• SMILES: C1(C(F)CCCCC1)N
• Canonical SMILES: NC1CCCCCC1F
• InChI: InChI=1S/C7H14FN/c8-6-4-2-1-3-5-7(6)9/h6-7H,1-5,9H2
• InChIKey: ZRWYGOIICXWZNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluorocycloheptan-1-amine
• IUPAC Traditional name: 2-fluorocycloheptan-1-amine
• Synonyms: 2-fluorocycloheptan-1-amine

Database IDs

• MDL Number: MFCD23143981
• PubChem SID: 164296445
• PubChem CID: 71756574

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.516675
• LogD (pH = 7.4): -0.36215407
• Log P: 1.4345685
• Molar Refractivity: 35.2034 cm^3
• Polarizability: 14.107728 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.769

Product Information

• Purity: 95%