1-N-cyclopropyl-5-fluorobenzene-1,2-diamine

• ChemBase ID: 267365
• Molecular Formular: C9H11FN2
• Molecular Mass: 166.1954432
• Monoisotopic Mass: 166.09062658
• SMILES: c1(NC2CC2)cc(ccc1N)F
• Canonical SMILES: Nc1ccc(cc1NC1CC1)F
• InChI: InChI=1S/C9H11FN2/c10-6-1-4-8(11)9(5-6)12-7-2-3-7/h1,4-5,7,12H,2-3,11H2
• InChIKey: SBVLTGPZMAEVQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-N-cyclopropyl-5-fluorobenzene-1,2-diamine
• IUPAC Traditional name: 1-N-cyclopropyl-5-fluorobenzene-1,2-diamine
• Synonyms: 1-N-cyclopropyl-5-fluorobenzene-1,2-diamine

Database IDs

• MDL Number: MFCD16744205
• PubChem SID: 164323275
• PubChem CID: 54592554

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.206271
• LogD (pH = 7.4): 1.2251188
• Log P: 1.2253644
• Molar Refractivity: 48.3798 cm^3
• Polarizability: 17.070051 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.527

Product Information

• Purity: 95%