1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide

C4H5F6NO4S2 — CID 88582497

IUPAC1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)CF
InChIInChI=1S/C4H5F6NO4S2/c1-11(17(14,15)4(8,9)10)16(12,13)3(6,7)2-5/h2H2,1H3
InChIKeyPAKNQIJHPIHGRA-UHFFFAOYSA-N
MW309.21 g/mol
LogP0.66
Rot. Bonds4

About 1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide

1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide (PubChem CID 88582497) has the molecular formula C4H5F6NO4S2 and a molecular weight of 309.21 g/mol. Its IUPAC name is 1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
PubChem CID88582497
Molecular FormulaC4H5F6NO4S2
Molecular Weight309.21 g/mol
Exact Mass308.96
IUPAC Name1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESCN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)CF
InChIInChI=1S/C4H5F6NO4S2/c1-11(17(14,15)4(8,9)10)16(12,13)3(6,7)2-5/h2H2,1H3
InChIKeyPAKNQIJHPIHGRA-UHFFFAOYSA-N
XLogP0.66
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The IUPAC name of 1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide (CID 88582497) is 1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide is CN(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)CF.
What is the InChIKey of 1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The InChIKey is PAKNQIJHPIHGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6NO4S2/c1-11(17(14,15)4(8,9)10)16(12,13)3(6,7)2-5/h2H2,1H3.
What are the key properties of 1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide?
1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide has a molecular weight of 309.21 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 88582497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).