1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide

C3H3F6NO3S — CID 87571200

IUPAC1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)OC(F)(F)F
InChIInChI=1S/C3H3F6NO3S/c4-1(13-3(7,8)9)2(5,6)14(10,11)12/h1H,(H2,10,11,12)
InChIKeyNLZKJUMASCKAIB-UHFFFAOYSA-N
MW247.12 g/mol
LogP0.70
Rot. Bonds3

About 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide

1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide (PubChem CID 87571200) has the molecular formula C3H3F6NO3S and a molecular weight of 247.12 g/mol. Its IUPAC name is 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide
PubChem CID87571200
Molecular FormulaC3H3F6NO3S
Molecular Weight247.12 g/mol
Exact Mass246.97
IUPAC Name1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide
SMILESNS(=O)(=O)C(F)(F)C(F)OC(F)(F)F
InChIInChI=1S/C3H3F6NO3S/c4-1(13-3(7,8)9)2(5,6)14(10,11)12/h1H,(H2,10,11,12)
InChIKeyNLZKJUMASCKAIB-UHFFFAOYSA-N
XLogP0.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane-1-sulfonamide
CID 10924456
1,1,2,2-Tetrafluoro-2-methoxyethanesulfonamide
CID 12916774
1,1,2,2-Tetrafluoro-2-(trifluoromethoxy)ethanesulfonamide
CID 53716574
1,2,2,2-Tetrafluoro-1-(trifluoromethoxy)ethanesulfonamide
CID 54257019
1,2,2,2-Tetrafluoro-1-methoxyethanesulfonamide
CID 88457893
1,1,2-Trifluoro-2-(trifluoromethoxy)ethanesulfinate
CID 91328420
2-(Trifluoromethoxy)ethane-1-sulfonamide
CID 104821786
1,1,1-trifluoro-N-(2,2,2-trifluoroethoxy)methanesulfonamide
CID 82714920
2-(Trifluoromethoxy)-1,1,2-trifluoroethanesulfonate
CID 102177517

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide?
The IUPAC name of 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide (CID 87571200) is 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide.
What is the SMILES notation for 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide?
The canonical SMILES for 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide is NS(=O)(=O)C(F)(F)C(F)OC(F)(F)F.
What is the InChIKey of 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide?
The InChIKey is NLZKJUMASCKAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6NO3S/c4-1(13-3(7,8)9)2(5,6)14(10,11)12/h1H,(H2,10,11,12).
What are the key properties of 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide?
1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide has a molecular weight of 247.12 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2-(trifluoromethoxy)ethanesulfonamide is sourced from PubChem (CID 87571200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).