N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide

C5H10F3NO2S — CID 60758960

IUPACN-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCCN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C5H10F3NO2S/c1-3-9(12(2,10)11)4-5(6,7)8/h3-4H2,1-2H3
InChIKeyRXNBALBRNYXRBT-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.83
Rot. Bonds3

About N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide

N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide (PubChem CID 60758960) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
PubChem CID60758960
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
SMILESCCN(CC(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C5H10F3NO2S/c1-3-9(12(2,10)11)4-5(6,7)8/h3-4H2,1-2H3
InChIKeyRXNBALBRNYXRBT-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The IUPAC name of N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide (CID 60758960) is N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide.
What is the SMILES notation for N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The canonical SMILES for N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide is CCN(CC(F)(F)F)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
The InChIKey is RXNBALBRNYXRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-3-9(12(2,10)11)4-5(6,7)8/h3-4H2,1-2H3.
What are the key properties of N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide?
N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide has a molecular weight of 205.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2,2,2-trifluoroethyl)methanesulfonamide is sourced from PubChem (CID 60758960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).