[(2-chloro-6-fluorophenyl)methyl](prop-2-en-1-yl)amine

• ChemBase ID: 312362
• Molecular Formular: C10H11ClFN
• Molecular Mass: 199.6524432
• Monoisotopic Mass: 199.05640526
• SMILES: c1(c(F)cccc1Cl)CNCC=C
• Canonical SMILES: C=CCNCc1c(F)cccc1Cl
• InChI: InChI=1S/C10H11ClFN/c1-2-6-13-7-8-9(11)4-3-5-10(8)12/h2-5,13H,1,6-7H2
• InChIKey: YTZMRUNVNWFYBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-chloro-6-fluorophenyl)methyl](prop-2-en-1-yl)amine
• IUPAC Traditional name: [(2-chloro-6-fluorophenyl)methyl](prop-2-en-1-yl)amine
• Synonyms: N-(2-chloro-6-fluorobenzyl)-2-propen-1-amine

Database IDs

• CAS Number: 62924-63-4
• MDL Number: MFCD07406258

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9090012
• LogD (pH = 7.4): 2.5791337
• Log P: 3.009591
• Molar Refractivity: 53.4899 cm^3
• Polarizability: 20.5047 Å^3
• Polar Surface Area: 12.03 Å^2