{[4-(trifluoromethyl)phenyl]methyl}hydrazine

• ChemBase ID: 117849
• Molecular Formular: C8H9F3N2
• Molecular Mass: 190.1656696
• Monoisotopic Mass: 190.07178296
• SMILES: C(c1ccc(cc1)CNN)(F)(F)F
• Canonical SMILES: NNCc1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C8H9F3N2/c9-8(10,11)7-3-1-6(2-4-7)5-13-12/h1-4,13H,5,12H2
• InChIKey: JYHYIFWDMFXPFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(trifluoromethyl)phenyl]methyl}hydrazine
• IUPAC Traditional name: {[4-(trifluoromethyl)phenyl]methyl}hydrazine
• Synonyms: 1-{[4-(trifluoromethyl)phenyl]methyl}hydrazine; [4-(trifluoromethyl)benzyl]hydrazine hydrochloride

Database IDs

• CAS Number: 2924-77-8
• MDL Number: MFCD01722304; MFCD07786412
• PubChem SID: 162090837
• PubChem CID: 52973

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5951985
• LogD (pH = 7.4): 1.789079
• Log P: 1.7922074
• Molar Refractivity: 55.482 cm^3
• Polarizability: 16.132568 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.74176
• Hydrophobicity(logP): 1.587

Product Information

• Purity: 95%; 95+%
• Salt Data: HCl