2,2,6,6-tetrafluoromorpholine hydrochloride

• ChemBase ID: 256359
• Molecular Formular: C4H6ClF4NO
• Molecular Mass: 195.5431528
• Monoisotopic Mass: 195.00740438
• SMILES: O1C(F)(F)CNCC1(F)F.Cl
• Canonical SMILES: FC1(F)CNCC(O1)(F)F.Cl
• InChI: InChI=1S/C4H5F4NO.ClH/c5-3(6)1-9-2-4(7,8)10-3;/h9H,1-2H2;1H
• InChIKey: NNKZHESYPXFUTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,6,6-tetrafluoromorpholine hydrochloride
• IUPAC Traditional name: 2,2,6,6-tetrafluoromorpholine hydrochloride
• Synonyms: 2,2,6,6-tetrafluoromorpholine hydrochloride

Database IDs

• MDL Number: MFCD12912738
• PubChem SID: 164312269
• PubChem CID: 45791382

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2848295
• LogD (pH = 7.4): 1.2848976
• Log P: 1.2848985
• Molar Refractivity: 24.8981 cm^3
• Polarizability: 9.345908 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.764

Product Information

• Purity: 95%