2,2-difluoro-N-methyl-N-oxidoethanamine

C3H6F2NO- — CID 126664092

IUPAC2,2-difluoro-N-methyl-N-oxidoethanamine
SMILESCN([O-])CC(F)F
InChIInChI=1S/C3H6F2NO/c1-6(7)2-3(4)5/h3H,2H2,1H3/q-1
InChIKeyCXFXLEXGZLUJKH-UHFFFAOYSA-N
MW110.08 g/mol
LogP0.68
Rot. Bonds2

About 2,2-difluoro-N-methyl-N-oxidoethanamine

2,2-difluoro-N-methyl-N-oxidoethanamine (PubChem CID 126664092) has the molecular formula C3H6F2NO- and a molecular weight of 110.08 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-oxidoethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-oxidoethanamine
PubChem CID126664092
Molecular FormulaC3H6F2NO-
Molecular Weight110.08 g/mol
Exact Mass110.04
IUPAC Name2,2-difluoro-N-methyl-N-oxidoethanamine
SMILESCN([O-])CC(F)F
InChIInChI=1S/C3H6F2NO/c1-6(7)2-3(4)5/h3H,2H2,1H3/q-1
InChIKeyCXFXLEXGZLUJKH-UHFFFAOYSA-N
XLogP0.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.08
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-N,2-dimethylpropan-1-amine
CID 126663851
N'-(2,2-difluoroethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 155737980
3-[2,2-difluoroethyl(methyl)amino]butan-2-ol
CID 115868925
N-(2,2-difluoroethyl)-N-methyl-2-methylsulfanylpropan-2-amine
CID 167057612
3-[2,2-difluoroethyl(methyl)amino]propane-1,2-diol
CID 115773225
N-(2,2-difluoroethyl)-N-methylazetidin-3-amine;ethane
CID 145168742
3-N-(2,2-difluoroethyl)-3-N-methylbutane-1,3-diamine
CID 63223427
2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine
CID 170275915
N,N-dimethylmethanamine;fluoroform
CID 171924613
N-(2,2-difluoroethyl)-N-methylbutanamide
CID 115611582
3-[2,2-difluoroethyl(methyl)amino]propanethioamide
CID 60923206
4-[2,2-difluoroethyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791761

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-oxidoethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-N-oxidoethanamine (CID 126664092) is 2,2-difluoro-N-methyl-N-oxidoethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-oxidoethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-N-oxidoethanamine is CN([O-])CC(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-N-oxidoethanamine?
The InChIKey is CXFXLEXGZLUJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2NO/c1-6(7)2-3(4)5/h3H,2H2,1H3/q-1.
What are the key properties of 2,2-difluoro-N-methyl-N-oxidoethanamine?
2,2-difluoro-N-methyl-N-oxidoethanamine has a molecular weight of 110.08 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-oxidoethanamine is sourced from PubChem (CID 126664092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).