N-(2-aminoethyl)-N-(2,2-difluoroethyl)cyclopropanamine

• ChemBase ID: 270091
• Molecular Formular: C7H14F2N2
• Molecular Mass: 164.1962664
• Monoisotopic Mass: 164.1125049
• SMILES: C1(CC1)N(CC(F)F)CCN
• Canonical SMILES: NCCN(C1CC1)CC(F)F
• InChI: InChI=1S/C7H14F2N2/c8-7(9)5-11(4-3-10)6-1-2-6/h6-7H,1-5,10H2
• InChIKey: PRNRYNCZCZGYLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-N-(2,2-difluoroethyl)cyclopropanamine
• IUPAC Traditional name: N-(2-aminoethyl)-N-(2,2-difluoroethyl)cyclopropanamine
• Synonyms: N-(2-aminoethyl)-N-(2,2-difluoroethyl)cyclopropanamine

Database IDs

• MDL Number: MFCD14627877
• PubChem SID: 164326001
• PubChem CID: 50989772

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.656689
• LogD (pH = 7.4): -1.6137254
• Log P: 0.32508594
• Molar Refractivity: 39.7095 cm^3
• Polarizability: 15.423848 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.836

Product Information

• Purity: 95%