fluoro 3-fluorosulfonylpropanoate

C3H4F2O4S — CID 174400464

IUPACfluoro 3-fluorosulfonylpropanoate
SMILESO=C(CCS(=O)(=O)F)OF
InChIInChI=1S/C3H4F2O4S/c4-9-3(6)1-2-10(5,7)8/h1-2H2
InChIKeyKWBWZTJDNYYDDI-UHFFFAOYSA-N
MW174.12 g/mol
LogP0.10
Rot. Bonds3

About fluoro 3-fluorosulfonylpropanoate

fluoro 3-fluorosulfonylpropanoate (PubChem CID 174400464) has the molecular formula C3H4F2O4S and a molecular weight of 174.12 g/mol. Its IUPAC name is fluoro 3-fluorosulfonylpropanoate.

Molecular Properties

Compound Namefluoro 3-fluorosulfonylpropanoate
PubChem CID174400464
Molecular FormulaC3H4F2O4S
Molecular Weight174.12 g/mol
Exact Mass173.98
IUPAC Namefluoro 3-fluorosulfonylpropanoate
SMILESO=C(CCS(=O)(=O)F)OF
InChIInChI=1S/C3H4F2O4S/c4-9-3(6)1-2-10(5,7)8/h1-2H2
InChIKeyKWBWZTJDNYYDDI-UHFFFAOYSA-N
XLogP0.10
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.12
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-fluorosulfonylpropanoate?
The IUPAC name of fluoro 3-fluorosulfonylpropanoate (CID 174400464) is fluoro 3-fluorosulfonylpropanoate.
What is the SMILES notation for fluoro 3-fluorosulfonylpropanoate?
The canonical SMILES for fluoro 3-fluorosulfonylpropanoate is O=C(CCS(=O)(=O)F)OF.
What is the InChIKey of fluoro 3-fluorosulfonylpropanoate?
The InChIKey is KWBWZTJDNYYDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O4S/c4-9-3(6)1-2-10(5,7)8/h1-2H2.
What are the key properties of fluoro 3-fluorosulfonylpropanoate?
fluoro 3-fluorosulfonylpropanoate has a molecular weight of 174.12 g/mol, XLogP of 0.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-fluorosulfonylpropanoate is sourced from PubChem (CID 174400464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).