N-ethylsulfonyl-2,2,2-trifluoroacetamide

C4H6F3NO3S — CID 54530111

IUPACN-ethylsulfonyl-2,2,2-trifluoroacetamide
SMILESCCS(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO3S/c1-2-12(10,11)8-3(9)4(5,6)7/h2H2,1H3,(H,8,9)
InChIKeyYVXLPTXLUXIENS-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.01
Rot. Bonds2

About N-ethylsulfonyl-2,2,2-trifluoroacetamide

N-ethylsulfonyl-2,2,2-trifluoroacetamide (PubChem CID 54530111) has the molecular formula C4H6F3NO3S and a molecular weight of 205.16 g/mol. Its IUPAC name is N-ethylsulfonyl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-ethylsulfonyl-2,2,2-trifluoroacetamide
PubChem CID54530111
Molecular FormulaC4H6F3NO3S
Molecular Weight205.16 g/mol
Exact Mass205.00
IUPAC NameN-ethylsulfonyl-2,2,2-trifluoroacetamide
SMILESCCS(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C4H6F3NO3S/c1-2-12(10,11)8-3(9)4(5,6)7/h2H2,1H3,(H,8,9)
InChIKeyYVXLPTXLUXIENS-UHFFFAOYSA-N
XLogP0.01
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylsulfonyl-2,2,2-trifluoroacetamide?
The IUPAC name of N-ethylsulfonyl-2,2,2-trifluoroacetamide (CID 54530111) is N-ethylsulfonyl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-ethylsulfonyl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-ethylsulfonyl-2,2,2-trifluoroacetamide is CCS(=O)(=O)NC(=O)C(F)(F)F.
What is the InChIKey of N-ethylsulfonyl-2,2,2-trifluoroacetamide?
The InChIKey is YVXLPTXLUXIENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO3S/c1-2-12(10,11)8-3(9)4(5,6)7/h2H2,1H3,(H,8,9).
What are the key properties of N-ethylsulfonyl-2,2,2-trifluoroacetamide?
N-ethylsulfonyl-2,2,2-trifluoroacetamide has a molecular weight of 205.16 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylsulfonyl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 54530111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).