2,2-difluoro-3-(morpholin-4-yl)propan-1-amine

• ChemBase ID: 799456
• Molecular Formular: C7H14F2N2O
• Molecular Mass: 180.1956664
• Monoisotopic Mass: 180.10741952
• SMILES: C(C(CN1CCOCC1)(F)F)N
• Canonical SMILES: NCC(CN1CCOCC1)(F)F
• InChI: InChI=1S/C7H14F2N2O/c8-7(9,5-10)6-11-1-3-12-4-2-11/h1-6,10H2
• InChIKey: GPEACLRYPCRPNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoro-3-(morpholin-4-yl)propan-1-amine
• IUPAC Traditional name: 2,2-difluoro-3-(morpholin-4-yl)propan-1-amine
• Synonyms: 2,2-difluoro-3-morpholinopropan-1-amine

Database IDs

• CAS Number: 1211595-26-4

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.1485958
• LogD (pH = 7.4): -0.5135312
• Log P: -0.12467208
• Molar Refractivity: 41.6804 cm^3
• Polarizability: 16.188972 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%