N-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide

C5H10F3NO2S — CID 59254927

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

About N-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide

N-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide (PubChem CID 59254927) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide
PubChem CID59254927
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC NameN-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide
SMILESCCN(C)S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-3-9(2)12(10,11)4-5(6,7)8/h3-4H2,1-2H3
InChIKeyDHFLGSVTPVDITC-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-2,2,2-trifluoro-N-methylethanesulfonamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide (CID 59254927) is N-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide is CCN(C)S(=O)(=O)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide?
The InChIKey is DHFLGSVTPVDITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-3-9(2)12(10,11)4-5(6,7)8/h3-4H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide?
N-ethyl-2,2,2-trifluoro-N-methylethanesulfonamide 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-2,2,2-trifluoro-N-methylethanesulfonamide is sourced from PubChem (CID 59254927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).