2,6-difluoro-1-N,1-N-dimethylbenzene-1,4-diamine

• ChemBase ID: 261170
• Molecular Formular: C8H10F2N2
• Molecular Mass: 172.1752064
• Monoisotopic Mass: 172.08120477
• SMILES: c1(c(cc(cc1F)N)F)N(C)C
• Canonical SMILES: CN(c1c(F)cc(cc1F)N)C
• InChI: InChI=1S/C8H10F2N2/c1-12(2)8-6(9)3-5(11)4-7(8)10/h3-4H,11H2,1-2H3
• InChIKey: AHECWGNIXYWULV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-difluoro-1-N,1-N-dimethylbenzene-1,4-diamine
• IUPAC Traditional name: 2,6-difluoro-1-N,1-N-dimethylbenzene-1,4-diamine
• Synonyms: 2,6-difluoro-1-N,1-N-dimethylbenzene-1,4-diamine

Database IDs

• MDL Number: MFCD12912806
• PubChem SID: 164317080
• PubChem CID: 45791724

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5279536
• LogD (pH = 7.4): 1.5376426
• Log P: 1.5377676
• Molar Refractivity: 45.6198 cm^3
• Polarizability: 15.710728 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.813

Product Information

• Purity: 95%