2-(diethylamino)-2-oxoethanesulfonyl fluoride

C6H12FNO3S — CID 165453061

IUPAC2-(diethylamino)-2-oxoethanesulfonyl fluoride
SMILESCCN(CC)C(=O)CS(=O)(=O)F
InChIInChI=1S/C6H12FNO3S/c1-3-8(4-2)6(9)5-12(7,10)11/h3-5H2,1-2H3
InChIKeyAFDXWUNFIKQBNH-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.15
Rot. Bonds4

About 2-(diethylamino)-2-oxoethanesulfonyl fluoride

2-(diethylamino)-2-oxoethanesulfonyl fluoride (PubChem CID 165453061) has the molecular formula C6H12FNO3S and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-(diethylamino)-2-oxoethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(diethylamino)-2-oxoethanesulfonyl fluoride
PubChem CID165453061
Molecular FormulaC6H12FNO3S
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC Name2-(diethylamino)-2-oxoethanesulfonyl fluoride
SMILESCCN(CC)C(=O)CS(=O)(=O)F
InChIInChI=1S/C6H12FNO3S/c1-3-8(4-2)6(9)5-12(7,10)11/h3-5H2,1-2H3
InChIKeyAFDXWUNFIKQBNH-UHFFFAOYSA-N
XLogP0.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-oxoethanesulfonyl fluoride?
The IUPAC name of 2-(diethylamino)-2-oxoethanesulfonyl fluoride (CID 165453061) is 2-(diethylamino)-2-oxoethanesulfonyl fluoride.
What is the SMILES notation for 2-(diethylamino)-2-oxoethanesulfonyl fluoride?
The canonical SMILES for 2-(diethylamino)-2-oxoethanesulfonyl fluoride is CCN(CC)C(=O)CS(=O)(=O)F.
What is the InChIKey of 2-(diethylamino)-2-oxoethanesulfonyl fluoride?
The InChIKey is AFDXWUNFIKQBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO3S/c1-3-8(4-2)6(9)5-12(7,10)11/h3-5H2,1-2H3.
What are the key properties of 2-(diethylamino)-2-oxoethanesulfonyl fluoride?
2-(diethylamino)-2-oxoethanesulfonyl fluoride has a molecular weight of 197.23 g/mol, XLogP of 0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-oxoethanesulfonyl fluoride is sourced from PubChem (CID 165453061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).