1,1-difluoro-N-methylmethanesulfonamide

C2H5F2NO2S — CID 28606919

IUPAC1,1-difluoro-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)C(F)F
InChIInChI=1S/C2H5F2NO2S/c1-5-8(6,7)2(3)4/h2,5H,1H3
InChIKeyRGTUKHBIFAVALX-UHFFFAOYSA-N
MW145.13 g/mol
LogP-0.24
Rot. Bonds2

About 1,1-difluoro-N-methylmethanesulfonamide

1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 28606919) has the molecular formula C2H5F2NO2S and a molecular weight of 145.13 g/mol. Its IUPAC name is 1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-methylmethanesulfonamide
PubChem CID28606919
Molecular FormulaC2H5F2NO2S
Molecular Weight145.13 g/mol
Exact Mass145.00
IUPAC Name1,1-difluoro-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)C(F)F
InChIInChI=1S/C2H5F2NO2S/c1-5-8(6,7)2(3)4/h2,5H,1H3
InChIKeyRGTUKHBIFAVALX-UHFFFAOYSA-N
XLogP-0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-methyl-methanesulfonamide
CID 12489741
Methylammonium trifluoromethanesulphonate
CID 15820536
N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 23025388
N-(trifluoromethyl)methanesulfonamide
CID 23065543
1,1,1-trifluoro-N-(methanesulfonamidomethyl)methanesulfonamide
CID 58173851
1-fluoro-N-methylmethanesulfonamide
CID 58420843
N-(difluoromethyl)methanesulfonamide
CID 87564089
1-fluoro-N-(fluoromethyl)methanesulfonamide
CID 138675111
N-(trifluoromethylsulfonyl)methanamine oxide
CID 163742958
N-(difluoromethylsulfonylsulfanyl)methanamine
CID 169645690
Methylsulfamoyl(trifluoromethylsulfonyl)azanide
CID 172079308
N-(difluoromethyl)-1,1-difluoromethanesulfonamide
CID 175421919

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of 1,1-difluoro-N-methylmethanesulfonamide (CID 28606919) is 1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-methylmethanesulfonamide is CNS(=O)(=O)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is RGTUKHBIFAVALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F2NO2S/c1-5-8(6,7)2(3)4/h2,5H,1H3.
What are the key properties of 1,1-difluoro-N-methylmethanesulfonamide?
1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 145.13 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 28606919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).