2-(trifluoromethoxy)ethanesulfonamide

C3H6F3NO3S — CID 104821786

IUPAC2-(trifluoromethoxy)ethanesulfonamide
SMILESNS(=O)(=O)CCOC(F)(F)F
InChIInChI=1S/C3H6F3NO3S/c4-3(5,6)10-1-2-11(7,8)9/h1-2H2,(H2,7,8,9)
InChIKeyDKGMUZMKDNCNDR-UHFFFAOYSA-N
MW193.15 g/mol
LogP-0.19
Rot. Bonds3

About 2-(trifluoromethoxy)ethanesulfonamide

2-(trifluoromethoxy)ethanesulfonamide (PubChem CID 104821786) has the molecular formula C3H6F3NO3S and a molecular weight of 193.15 g/mol. Its IUPAC name is 2-(trifluoromethoxy)ethanesulfonamide.

Molecular Properties

Compound Name2-(trifluoromethoxy)ethanesulfonamide
PubChem CID104821786
Molecular FormulaC3H6F3NO3S
Molecular Weight193.15 g/mol
Exact Mass193.00
IUPAC Name2-(trifluoromethoxy)ethanesulfonamide
SMILESNS(=O)(=O)CCOC(F)(F)F
InChIInChI=1S/C3H6F3NO3S/c4-3(5,6)10-1-2-11(7,8)9/h1-2H2,(H2,7,8,9)
InChIKeyDKGMUZMKDNCNDR-UHFFFAOYSA-N
XLogP-0.19
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)ethanesulfonamide?
The IUPAC name of 2-(trifluoromethoxy)ethanesulfonamide (CID 104821786) is 2-(trifluoromethoxy)ethanesulfonamide.
What is the SMILES notation for 2-(trifluoromethoxy)ethanesulfonamide?
The canonical SMILES for 2-(trifluoromethoxy)ethanesulfonamide is NS(=O)(=O)CCOC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)ethanesulfonamide?
The InChIKey is DKGMUZMKDNCNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO3S/c4-3(5,6)10-1-2-11(7,8)9/h1-2H2,(H2,7,8,9).
What are the key properties of 2-(trifluoromethoxy)ethanesulfonamide?
2-(trifluoromethoxy)ethanesulfonamide has a molecular weight of 193.15 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)ethanesulfonamide is sourced from PubChem (CID 104821786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).