2,2-difluoro-N,N-dimethylethanesulfonamide

C4H9F2NO2S — CID 130685966

IUPAC2,2-difluoro-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(F)F
InChIInChI=1S/C4H9F2NO2S/c1-7(2)10(8,9)3-4(5)6/h4H,3H2,1-2H3
InChIKeyMADXBPMNJZGZKM-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.14
Rot. Bonds3

About 2,2-difluoro-N,N-dimethylethanesulfonamide

2,2-difluoro-N,N-dimethylethanesulfonamide (PubChem CID 130685966) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is 2,2-difluoro-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2,2-difluoro-N,N-dimethylethanesulfonamide
PubChem CID130685966
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC Name2,2-difluoro-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)CC(F)F
InChIInChI=1S/C4H9F2NO2S/c1-7(2)10(8,9)3-4(5)6/h4H,3H2,1-2H3
InChIKeyMADXBPMNJZGZKM-UHFFFAOYSA-N
XLogP0.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3,3,3-trifluoro-N,N-dimethylpropane-1-sulfonamide
CID 100646080
2,2-difluoroethanesulfonyl fluoride
CID 158385246
1-chloro-N,N-dimethylmethanesulfonamide
CID 10931700
3,3,3-trifluoro-N,N-dimethyl-2-(pyrrol-1-ylamino)propane-1-sulfonamide
CID 112740826
N,N-dimethylheptane-1-sulfonamide
CID 118391256
3-(dimethylsulfamoyl)propane-1-sulfonyl fluoride
CID 165460561
2-amino-2-(4-chlorophenyl)-N,N-dimethylethanesulfonamide
CID 82359794
2-fluoro-1-(2-fluoropropylsulfonyl)propane
CID 87624365
[methyl(sulfamoyl)amino]methane;hydrochloride
CID 18615116
N,N,3,3-tetramethyl-2-[3-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 173006835
2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride
CID 130332257
(E)-2-hydroxy-N,N-dimethyl-4-phenylbut-3-ene-1-sulfonamide
CID 15212439

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,N-dimethylethanesulfonamide?
The IUPAC name of 2,2-difluoro-N,N-dimethylethanesulfonamide (CID 130685966) is 2,2-difluoro-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2,2-difluoro-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2,2-difluoro-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)CC(F)F.
What is the InChIKey of 2,2-difluoro-N,N-dimethylethanesulfonamide?
The InChIKey is MADXBPMNJZGZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-7(2)10(8,9)3-4(5)6/h4H,3H2,1-2H3.
What are the key properties of 2,2-difluoro-N,N-dimethylethanesulfonamide?
2,2-difluoro-N,N-dimethylethanesulfonamide has a molecular weight of 173.18 g/mol, XLogP of 0.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 130685966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).