N-ethyl-2-fluoro-N-methylethanesulfonamide

C5H12FNO2S — CID 131102237

IUPACN-ethyl-2-fluoro-N-methylethanesulfonamide
SMILESCCN(C)S(=O)(=O)CCF
InChIInChI=1S/C5H12FNO2S/c1-3-7(2)10(8,9)5-4-6/h3-5H2,1-2H3
InChIKeyRLLBSASTIBPBCZ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.24
Rot. Bonds4

About N-ethyl-2-fluoro-N-methylethanesulfonamide

N-ethyl-2-fluoro-N-methylethanesulfonamide (PubChem CID 131102237) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is N-ethyl-2-fluoro-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-N-methylethanesulfonamide
PubChem CID131102237
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC NameN-ethyl-2-fluoro-N-methylethanesulfonamide
SMILESCCN(C)S(=O)(=O)CCF
InChIInChI=1S/C5H12FNO2S/c1-3-7(2)10(8,9)5-4-6/h3-5H2,1-2H3
InChIKeyRLLBSASTIBPBCZ-UHFFFAOYSA-N
XLogP0.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-N-methylethanesulfonamide?
The IUPAC name of N-ethyl-2-fluoro-N-methylethanesulfonamide (CID 131102237) is N-ethyl-2-fluoro-N-methylethanesulfonamide.
What is the SMILES notation for N-ethyl-2-fluoro-N-methylethanesulfonamide?
The canonical SMILES for N-ethyl-2-fluoro-N-methylethanesulfonamide is CCN(C)S(=O)(=O)CCF.
What is the InChIKey of N-ethyl-2-fluoro-N-methylethanesulfonamide?
The InChIKey is RLLBSASTIBPBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-3-7(2)10(8,9)5-4-6/h3-5H2,1-2H3.
What are the key properties of N-ethyl-2-fluoro-N-methylethanesulfonamide?
N-ethyl-2-fluoro-N-methylethanesulfonamide has a molecular weight of 169.22 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-N-methylethanesulfonamide is sourced from PubChem (CID 131102237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).