3-(2,4-difluorophenoxy)azetidine hydrochloride

• ChemBase ID: 46078
• Molecular Formular: C9H10ClF2NO
• Molecular Mass: 221.6316064
• Monoisotopic Mass: 221.04189807
• SMILES: c1(c(cc(cc1)F)F)OC1CNC1.Cl
• Canonical SMILES: Fc1ccc(c(c1)F)OC1CNC1.Cl
• InChI: InChI=1S/C9H9F2NO.ClH/c10-6-1-2-9(8(11)3-6)13-7-4-12-5-7;/h1-3,7,12H,4-5H2;1H
• InChIKey: DZGOPXZJIMJNDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,4-difluorophenoxy)azetidine hydrochloride
• IUPAC Traditional name: 3-(2,4-difluorophenoxy)azetidine hydrochloride
• Synonyms: 3-(2,4-Difluorophenoxy)azetidine hydrochloride

Database IDs

• MDL Number: MFCD16872040
• PubChem SID: 162050841
• PubChem CID: 53409184

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1859608
• LogD (pH = 7.4): 0.48453748
• Log P: 1.6248171
• Molar Refractivity: 43.3796 cm^3
• Polarizability: 16.753199 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false