1,1-difluorobutane-2,3-diamine

• ChemBase ID: 282002
• Molecular Formular: C4H10F2N2
• Molecular Mass: 124.1324064
• Monoisotopic Mass: 124.08120477
• SMILES: C(C(F)F)(C(N)C)N
• Canonical SMILES: CC(C(C(F)F)N)N
• InChI: InChI=1S/C4H10F2N2/c1-2(7)3(8)4(5)6/h2-4H,7-8H2,1H3
• InChIKey: IZMCVHQLSPWPMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-difluorobutane-2,3-diamine
• IUPAC Traditional name: 1,1-difluorobutane-2,3-diamine
• Synonyms: 1,1-difluorobutane-2,3-diamine

Database IDs

• MDL Number: MFCD16547820
• PubChem SID: 180667533
• PubChem CID: 47003652

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6040313
• LogD (pH = 7.4): -2.512331
• Log P: -0.47976485
• Molar Refractivity: 26.518 cm^3
• Polarizability: 10.692906 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.358

Product Information

• Purity: 95%