N-ethyl-1,1,1-trifluoromethanesulfonamide

C3H6F3NO2S — CID 11229101

IUPACN-ethyl-1,1,1-trifluoromethanesulfonamide
SMILESCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H6F3NO2S/c1-2-7-10(8,9)3(4,5)6/h7H,2H2,1H3
InChIKeyADQRHLTXZPZLHA-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.45
Rot. Bonds2

About N-ethyl-1,1,1-trifluoromethanesulfonamide

N-ethyl-1,1,1-trifluoromethanesulfonamide (PubChem CID 11229101) has the molecular formula C3H6F3NO2S and a molecular weight of 177.15 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoromethanesulfonamide
PubChem CID11229101
Molecular FormulaC3H6F3NO2S
Molecular Weight177.15 g/mol
Exact Mass177.01
IUPAC NameN-ethyl-1,1,1-trifluoromethanesulfonamide
SMILESCCNS(=O)(=O)C(F)(F)F
InChIInChI=1S/C3H6F3NO2S/c1-2-7-10(8,9)3(4,5)6/h7H,2H2,1H3
InChIKeyADQRHLTXZPZLHA-UHFFFAOYSA-N
XLogP0.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-ethyl-1,1,1-trifluoromethanesulfonamide (CID 11229101) is N-ethyl-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-ethyl-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-ethyl-1,1,1-trifluoromethanesulfonamide is CCNS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoromethanesulfonamide?
The InChIKey is ADQRHLTXZPZLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NO2S/c1-2-7-10(8,9)3(4,5)6/h7H,2H2,1H3.
What are the key properties of N-ethyl-1,1,1-trifluoromethanesulfonamide?
N-ethyl-1,1,1-trifluoromethanesulfonamide has a molecular weight of 177.15 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 11229101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).