6,6-difluorospiro[3.3]heptan-2-amine hydrochloride

• ChemBase ID: 242241
• Molecular Formular: C7H12ClF2N
• Molecular Mass: 183.6266864
• Monoisotopic Mass: 183.06263351
• SMILES: C1(CC2(C1)CC(C2)N)(F)F.Cl
• Canonical SMILES: NC1CC2(C1)CC(C2)(F)F.Cl
• InChI: InChI=1S/C7H11F2N.ClH/c8-7(9)3-6(4-7)1-5(10)2-6;/h5H,1-4,10H2;1H
• InChIKey: QXXFNNVWYZNJFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,6-difluorospiro[3.3]heptan-2-amine hydrochloride
• IUPAC Traditional name: 6,6-difluorospiro[3.3]heptan-2-amine hydrochloride
• Synonyms: 6,6-difluorospiro[3.3]heptan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD22566009
• PubChem SID: 164298151
• PubChem CID: 71756972

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.684736
• LogD (pH = 7.4): -2.2704496
• Log P: 0.3394395
• Molar Refractivity: 34.1493 cm^3
• Polarizability: 13.200505 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.508

Product Information

• Purity: 95%