3,3-difluoro-3-fluorosulfonylpropanoic acid

C3H3F3O4S — CID 22389891

IUPAC3,3-difluoro-3-fluorosulfonylpropanoic acid
SMILESO=C(O)CC(F)(F)S(=O)(=O)F
InChIInChI=1S/C3H3F3O4S/c4-3(5,1-2(7)8)11(6,9)10/h1H2,(H,7,8)
InChIKeyBBTRJAVVAIRIKU-UHFFFAOYSA-N
MW192.11 g/mol
LogP0.35
Rot. Bonds3

About 3,3-difluoro-3-fluorosulfonylpropanoic acid

3,3-difluoro-3-fluorosulfonylpropanoic acid (PubChem CID 22389891) has the molecular formula C3H3F3O4S and a molecular weight of 192.11 g/mol. Its IUPAC name is 3,3-difluoro-3-fluorosulfonylpropanoic acid.

Molecular Properties

Compound Name3,3-difluoro-3-fluorosulfonylpropanoic acid
PubChem CID22389891
Molecular FormulaC3H3F3O4S
Molecular Weight192.11 g/mol
Exact Mass191.97
IUPAC Name3,3-difluoro-3-fluorosulfonylpropanoic acid
SMILESO=C(O)CC(F)(F)S(=O)(=O)F
InChIInChI=1S/C3H3F3O4S/c4-3(5,1-2(7)8)11(6,9)10/h1H2,(H,7,8)
InChIKeyBBTRJAVVAIRIKU-UHFFFAOYSA-N
XLogP0.35
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

a-Fluorosulfonyltetrafluoropropionic acid
CID 19021139
Tetrafluoro-2-(fluorosulfonyl)propionic acid
CID 20448507
3,3,3-Trifluoro-2-fluorosulfonylpropanoic acid
CID 129988474
2,2,3,3-Tetrafluoro-3-sulfopropanoic acid
CID 23312486
3,3-Difluoro-2-fluorosulfonylpropanoic acid
CID 23444749
1,1,2-Trifluoro-3-hydroxy-3-oxopropane-1-sulfonate
CID 58422439
2,3,3-Trifluoro-3-sulfopropanoic acid
CID 58422440
1,1-Difluoro-3-hydroxy-3-oxopropane-1-sulfonate
CID 59623047
3,3-Difluoro-3-sulfopropanoic acid
CID 59623048
2,2-Difluoro-3-fluorosulfonylpropanoic acid
CID 87176616
2,3,3,3-Tetrafluoro-2-sulfopropanoic acid
CID 87764157
2,2,3,3-Tetrafluoro-3-fluorosulfonylpropanoic acid;hydrofluoride
CID 88361858

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-fluorosulfonylpropanoic acid?
The IUPAC name of 3,3-difluoro-3-fluorosulfonylpropanoic acid (CID 22389891) is 3,3-difluoro-3-fluorosulfonylpropanoic acid.
What is the SMILES notation for 3,3-difluoro-3-fluorosulfonylpropanoic acid?
The canonical SMILES for 3,3-difluoro-3-fluorosulfonylpropanoic acid is O=C(O)CC(F)(F)S(=O)(=O)F.
What is the InChIKey of 3,3-difluoro-3-fluorosulfonylpropanoic acid?
The InChIKey is BBTRJAVVAIRIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O4S/c4-3(5,1-2(7)8)11(6,9)10/h1H2,(H,7,8).
What are the key properties of 3,3-difluoro-3-fluorosulfonylpropanoic acid?
3,3-difluoro-3-fluorosulfonylpropanoic acid has a molecular weight of 192.11 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-fluorosulfonylpropanoic acid is sourced from PubChem (CID 22389891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).