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

C3H3F6NO4S2 — CID 59015593

IUPAC2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H3F6NO4S2/c4-2(5,6)1-15(11,12)10-16(13,14)3(7,8)9/h10H,1H2
InChIKeyRGFHJZAHBNQCKZ-UHFFFAOYSA-N
MW295.18 g/mol
LogP0.32
Rot. Bonds3

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

2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide (PubChem CID 59015593) has the molecular formula C3H3F6NO4S2 and a molecular weight of 295.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide
PubChem CID59015593
Molecular FormulaC3H3F6NO4S2
Molecular Weight295.18 g/mol
Exact Mass294.94
IUPAC Name2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H3F6NO4S2/c4-2(5,6)1-15(11,12)10-16(13,14)3(7,8)9/h10H,1H2
InChIKeyRGFHJZAHBNQCKZ-UHFFFAOYSA-N
XLogP0.32
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide (CID 59015593) is 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide is O=S(=O)(CC(F)(F)F)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide?
The InChIKey is RGFHJZAHBNQCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F6NO4S2/c4-2(5,6)1-15(11,12)10-16(13,14)3(7,8)9/h10H,1H2.
What are the key properties of 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide?
2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide has a molecular weight of 295.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 59015593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).