2,2-difluoro-3-fluorosulfonylpropanoate

C3H2F3O4S- — CID 152752394

IUPAC2,2-difluoro-3-fluorosulfonylpropanoate
SMILESO=C([O-])C(F)(F)CS(=O)(=O)F
InChIInChI=1S/C3H3F3O4S/c4-3(5,2(7)8)1-11(6,9)10/h1H2,(H,7,8)/p-1
InChIKeyOHBPBNLLKMPHQY-UHFFFAOYSA-M
MW191.11 g/mol
LogP-1.33
Rot. Bonds3

About 2,2-difluoro-3-fluorosulfonylpropanoate

2,2-difluoro-3-fluorosulfonylpropanoate (PubChem CID 152752394) has the molecular formula C3H2F3O4S- and a molecular weight of 191.11 g/mol. Its IUPAC name is 2,2-difluoro-3-fluorosulfonylpropanoate.

Molecular Properties

Compound Name2,2-difluoro-3-fluorosulfonylpropanoate
PubChem CID152752394
Molecular FormulaC3H2F3O4S-
Molecular Weight191.11 g/mol
Exact Mass190.96
IUPAC Name2,2-difluoro-3-fluorosulfonylpropanoate
SMILESO=C([O-])C(F)(F)CS(=O)(=O)F
InChIInChI=1S/C3H3F3O4S/c4-3(5,2(7)8)1-11(6,9)10/h1H2,(H,7,8)/p-1
InChIKeyOHBPBNLLKMPHQY-UHFFFAOYSA-M
XLogP-1.33
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoroethanesulfonyl fluoride
CID 12929868
iodanium;silver;bis(2,2,2-trifluoroacetate)
CID 158821992
2,2-difluoro-2-sulfoacetate
CID 86645255
samarium;bis(2,2,2-trifluoroacetate)
CID 22462012
magnesium bis(2,2,2-trifluoroacetate)
CID 11139550
zinc 2,2,2-trifluoroacetate
CID 22604677
sodium 2,2,2-trifluoroacetate
CID 517019
lithium;boric acid;2,2,2-trifluoroacetate
CID 159468247
dilithium bis(2,3,3,3-tetrafluoro-2-sulfopropanoate)
CID 173154331
potassium 2,3,3,3-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-fluorosulfonylethoxy)propanoate
CID 23694417
lithium;acetic acid;2,2,2-trifluoroacetate
CID 89314712
sodium;2,2,2-trifluoroacetate;hydrate
CID 141088528

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-fluorosulfonylpropanoate?
The IUPAC name of 2,2-difluoro-3-fluorosulfonylpropanoate (CID 152752394) is 2,2-difluoro-3-fluorosulfonylpropanoate.
What is the SMILES notation for 2,2-difluoro-3-fluorosulfonylpropanoate?
The canonical SMILES for 2,2-difluoro-3-fluorosulfonylpropanoate is O=C([O-])C(F)(F)CS(=O)(=O)F.
What is the InChIKey of 2,2-difluoro-3-fluorosulfonylpropanoate?
The InChIKey is OHBPBNLLKMPHQY-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3F3O4S/c4-3(5,2(7)8)1-11(6,9)10/h1H2,(H,7,8)/p-1.
What are the key properties of 2,2-difluoro-3-fluorosulfonylpropanoate?
2,2-difluoro-3-fluorosulfonylpropanoate has a molecular weight of 191.11 g/mol, XLogP of -1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-fluorosulfonylpropanoate is sourced from PubChem (CID 152752394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).