{[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl}(methyl)amine

• ChemBase ID: 297557
• Molecular Formular: C14H12F3NO
• Molecular Mass: 267.2463896
• Monoisotopic Mass: 267.08709867
• SMILES: CNCc1cc(ccc1Oc1ccc(cc1F)F)F
• Canonical SMILES: CNCc1cc(F)ccc1Oc1ccc(cc1F)F
• InChI: InChI=1S/C14H12F3NO/c1-18-8-9-6-10(15)2-4-13(9)19-14-5-3-11(16)7-12(14)17/h2-7,18H,8H2,1H3
• InChIKey: MFAJRYWQXVCHHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl}(methyl)amine
• IUPAC Traditional name: {[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl}(methyl)amine
• Synonyms: 1-[2-(2,4-Difluorophenoxy)-5-fluorophenyl]-N-methylmethylamine; 2-(2,4-Difluorophenoxy)-5-fluoro-N-methylbenzylamine; 2-(2,4-二氟苯氧基)-5-氟-N-甲基苄胺

Database IDs

• MDL Number: MFCD08064232
• PubChem SID: 180683088
• PubChem CID: 24208805

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.4310066
• LogD (pH = 7.4): 1.9161123
• Log P: 3.4599876
• Molar Refractivity: 66.196 cm^3
• Polarizability: 24.926548 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 96%