1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide

C4H7F4NO2S — CID 87658673

IUPAC1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)C(F)F
InChIInChI=1S/C4H7F4NO2S/c1-9(2)12(10,11)4(7,8)3(5)6/h3H,1-2H3
InChIKeyBQLDXKBSEINTCF-UHFFFAOYSA-N
MW209.16 g/mol
LogP0.74
Rot. Bonds3

About 1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide

1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide (PubChem CID 87658673) has the molecular formula C4H7F4NO2S and a molecular weight of 209.16 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide
PubChem CID87658673
Molecular FormulaC4H7F4NO2S
Molecular Weight209.16 g/mol
Exact Mass209.01
IUPAC Name1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide
SMILESCN(C)S(=O)(=O)C(F)(F)C(F)F
InChIInChI=1S/C4H7F4NO2S/c1-9(2)12(10,11)4(7,8)3(5)6/h3H,1-2H3
InChIKeyBQLDXKBSEINTCF-UHFFFAOYSA-N
XLogP0.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-Ethyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
CID 17856182
N,N-Dimethyl-1,1,2,2,2-pentafluoroethanesulfonamide
CID 21102949
N-ethyl-N-methyl-1,1,2,2,2-pentafluoro-ethanesulfonamide
CID 102441606
N,N-diethyl-1,1,2,2,2-pentafluoro-ethanesulfonamide
CID 102441608
N,N-Dimethyl-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide
CID 15345998
2,2,2-trifluoro-N,N-dimethylethanesulfonamide
CID 57183308
1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)-N-methylethanesulfonamide
CID 57711940
1,1,3,3-tetrafluoro-N,N-dimethylpropane-1-sulfonamide
CID 58435975
Methyl(1,1,3,3-tetrafluoropropylsulfonyl)azanide;rubidium(1+)
CID 58436062
N,N-diethyl-1,1,2,2-tetrafluoroethanesulfonamide
CID 88487590
1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 88582497
1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 123797305

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide?
The IUPAC name of 1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide (CID 87658673) is 1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide?
The canonical SMILES for 1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide is CN(C)S(=O)(=O)C(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide?
The InChIKey is BQLDXKBSEINTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F4NO2S/c1-9(2)12(10,11)4(7,8)3(5)6/h3H,1-2H3.
What are the key properties of 1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide?
1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide has a molecular weight of 209.16 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 87658673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).