1-ethoxyethanesulfonyl fluoride

C4H9FO3S — CID 18951511

IUPAC1-ethoxyethanesulfonyl fluoride
SMILESCCOC(C)S(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-3-8-4(2)9(5,6)7/h4H,3H2,1-2H3
InChIKeyXPDWDSONNUTBTH-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.67
Rot. Bonds3

About 1-ethoxyethanesulfonyl fluoride

1-ethoxyethanesulfonyl fluoride (PubChem CID 18951511) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is 1-ethoxyethanesulfonyl fluoride.

Molecular Properties

Compound Name1-ethoxyethanesulfonyl fluoride
PubChem CID18951511
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Name1-ethoxyethanesulfonyl fluoride
SMILESCCOC(C)S(=O)(=O)F
InChIInChI=1S/C4H9FO3S/c1-3-8-4(2)9(5,6)7/h4H,3H2,1-2H3
InChIKeyXPDWDSONNUTBTH-UHFFFAOYSA-N
XLogP0.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethanesulfonyl fluoride?
The IUPAC name of 1-ethoxyethanesulfonyl fluoride (CID 18951511) is 1-ethoxyethanesulfonyl fluoride.
What is the SMILES notation for 1-ethoxyethanesulfonyl fluoride?
The canonical SMILES for 1-ethoxyethanesulfonyl fluoride is CCOC(C)S(=O)(=O)F.
What is the InChIKey of 1-ethoxyethanesulfonyl fluoride?
The InChIKey is XPDWDSONNUTBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S/c1-3-8-4(2)9(5,6)7/h4H,3H2,1-2H3.
What are the key properties of 1-ethoxyethanesulfonyl fluoride?
1-ethoxyethanesulfonyl fluoride has a molecular weight of 156.18 g/mol, XLogP of 0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethanesulfonyl fluoride is sourced from PubChem (CID 18951511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).