fluoro 2-fluorosulfonylbutanoate

C4H6F2O4S — CID 175254478

IUPACfluoro 2-fluorosulfonylbutanoate
SMILESCCC(C(=O)OF)S(=O)(=O)F
InChIInChI=1S/C4H6F2O4S/c1-2-3(4(7)10-5)11(6,8)9/h3H,2H2,1H3
InChIKeyOGSHLZLZCMAIOE-UHFFFAOYSA-N
MW188.15 g/mol
LogP0.49
Rot. Bonds3

About fluoro 2-fluorosulfonylbutanoate

fluoro 2-fluorosulfonylbutanoate (PubChem CID 175254478) has the molecular formula C4H6F2O4S and a molecular weight of 188.15 g/mol. Its IUPAC name is fluoro 2-fluorosulfonylbutanoate.

Molecular Properties

Compound Namefluoro 2-fluorosulfonylbutanoate
PubChem CID175254478
Molecular FormulaC4H6F2O4S
Molecular Weight188.15 g/mol
Exact Mass188.00
IUPAC Namefluoro 2-fluorosulfonylbutanoate
SMILESCCC(C(=O)OF)S(=O)(=O)F
InChIInChI=1S/C4H6F2O4S/c1-2-3(4(7)10-5)11(6,8)9/h3H,2H2,1H3
InChIKeyOGSHLZLZCMAIOE-UHFFFAOYSA-N
XLogP0.49
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-(fluorosulfonyl)butanoate
CID 122236107
Methyl 3-(fluorosulfonyl)propanoate
CID 59739027
3,3,3-Trifluoropropylsulfonyl butanoate
CID 90981256
Fluoro 2-fluorosulfonylpropanoate
CID 174366234
Fluoro 3-fluorosulfonylpropanoate
CID 174400464
3-Fluoropropylsulfonyl butanoate
CID 174722055
Methyl 2-sulfopropanoate
CID 165452562
Methyl 3-(fluorosulfonyl)butanoate
CID 165905473
4-Fluorosulfonylbutanoic acid
CID 170913372
Methyl 2-fluoro-3-fluorosulfonylpropanoate
CID 179000843
2-Sulfonatobutanoate
CID 20658667
3-Methyl-2,2-dioxooxathiolan-5-one
CID 21329625

Frequently Asked Questions

What is the IUPAC name of fluoro 2-fluorosulfonylbutanoate?
The IUPAC name of fluoro 2-fluorosulfonylbutanoate (CID 175254478) is fluoro 2-fluorosulfonylbutanoate.
What is the SMILES notation for fluoro 2-fluorosulfonylbutanoate?
The canonical SMILES for fluoro 2-fluorosulfonylbutanoate is CCC(C(=O)OF)S(=O)(=O)F.
What is the InChIKey of fluoro 2-fluorosulfonylbutanoate?
The InChIKey is OGSHLZLZCMAIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2O4S/c1-2-3(4(7)10-5)11(6,8)9/h3H,2H2,1H3.
What are the key properties of fluoro 2-fluorosulfonylbutanoate?
fluoro 2-fluorosulfonylbutanoate has a molecular weight of 188.15 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-fluorosulfonylbutanoate is sourced from PubChem (CID 175254478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).