fluoro 2-fluorosulfonylpropanoate

C3H4F2O4S — CID 174366234

IUPACfluoro 2-fluorosulfonylpropanoate
SMILESCC(C(=O)OF)S(=O)(=O)F
InChIInChI=1S/C3H4F2O4S/c1-2(3(6)9-4)10(5,7)8/h2H,1H3
InChIKeyAQTOVUFLZKRBSW-UHFFFAOYSA-N
MW174.12 g/mol
LogP0.10
Rot. Bonds2

About fluoro 2-fluorosulfonylpropanoate

fluoro 2-fluorosulfonylpropanoate (PubChem CID 174366234) has the molecular formula C3H4F2O4S and a molecular weight of 174.12 g/mol. Its IUPAC name is fluoro 2-fluorosulfonylpropanoate.

Molecular Properties

Compound Namefluoro 2-fluorosulfonylpropanoate
PubChem CID174366234
Molecular FormulaC3H4F2O4S
Molecular Weight174.12 g/mol
Exact Mass173.98
IUPAC Namefluoro 2-fluorosulfonylpropanoate
SMILESCC(C(=O)OF)S(=O)(=O)F
InChIInChI=1S/C3H4F2O4S/c1-2(3(6)9-4)10(5,7)8/h2H,1H3
InChIKeyAQTOVUFLZKRBSW-UHFFFAOYSA-N
XLogP0.10
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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 2-fluorosulfonylpropanoate?
The IUPAC name of fluoro 2-fluorosulfonylpropanoate (CID 174366234) is fluoro 2-fluorosulfonylpropanoate.
What is the SMILES notation for fluoro 2-fluorosulfonylpropanoate?
The canonical SMILES for fluoro 2-fluorosulfonylpropanoate is CC(C(=O)OF)S(=O)(=O)F.
What is the InChIKey of fluoro 2-fluorosulfonylpropanoate?
The InChIKey is AQTOVUFLZKRBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O4S/c1-2(3(6)9-4)10(5,7)8/h2H,1H3.
What are the key properties of fluoro 2-fluorosulfonylpropanoate?
fluoro 2-fluorosulfonylpropanoate has a molecular weight of 174.12 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-fluorosulfonylpropanoate is sourced from PubChem (CID 174366234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).