2,2,3,3,3-pentafluoropropane-1-sulfinate

C3H2F5O2S- — CID 23206815

IUPAC2,2,3,3,3-pentafluoropropane-1-sulfinate
SMILESO=S([O-])CC(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5O2S/c4-2(5,1-11(9)10)3(6,7)8/h1H2,(H,9,10)/p-1
InChIKeyHPCXYPQDSRIXOA-UHFFFAOYSA-M
MW197.10 g/mol
LogP1.06
Rot. Bonds2

About 2,2,3,3,3-pentafluoropropane-1-sulfinate

2,2,3,3,3-pentafluoropropane-1-sulfinate (PubChem CID 23206815) has the molecular formula C3H2F5O2S- and a molecular weight of 197.10 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropane-1-sulfinate.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropane-1-sulfinate
PubChem CID23206815
Molecular FormulaC3H2F5O2S-
Molecular Weight197.10 g/mol
Exact Mass196.97
IUPAC Name2,2,3,3,3-pentafluoropropane-1-sulfinate
SMILESO=S([O-])CC(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5O2S/c4-2(5,1-11(9)10)3(6,7)8/h1H2,(H,9,10)/p-1
InChIKeyHPCXYPQDSRIXOA-UHFFFAOYSA-M
XLogP1.06
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.10
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

fluoromethanesulfinate;dihydrochloride
CID 90187443
fluoromethanesulfinate;hydron
CID 174471713
tris(trifluoromethanesulfinate);ytterbium(3+)
CID 134992343
potassium;hydride;1,1,2,2,2-pentafluoroethanesulfinate
CID 174997119
2,2-difluoro-3-(2,3,3,4,4,5,5-heptafluorohexan-2-yloxy)propane-1-sulfinate
CID 134167024
ethane;trifluoromethanesulfinate
CID 89437311
1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane
CID 162617772
2,2-bis(sulfanylmethyl)butane-1-sulfinate
CID 175561236
6,7,7,7-tetrafluoro-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-6-(trifluoromethyl)heptane-1-sulfinate
CID 162540797
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl sulfite
CID 174942255
sodium 1,1-difluoroethanesulfinate
CID 117065045
cyclobutane;2-methyl-2-(methylamino)propane-1-sulfinate
CID 159805951

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropane-1-sulfinate?
The IUPAC name of 2,2,3,3,3-pentafluoropropane-1-sulfinate (CID 23206815) is 2,2,3,3,3-pentafluoropropane-1-sulfinate.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropane-1-sulfinate?
The canonical SMILES for 2,2,3,3,3-pentafluoropropane-1-sulfinate is O=S([O-])CC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropane-1-sulfinate?
The InChIKey is HPCXYPQDSRIXOA-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3F5O2S/c4-2(5,1-11(9)10)3(6,7)8/h1H2,(H,9,10)/p-1.
What are the key properties of 2,2,3,3,3-pentafluoropropane-1-sulfinate?
2,2,3,3,3-pentafluoropropane-1-sulfinate has a molecular weight of 197.10 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropane-1-sulfinate is sourced from PubChem (CID 23206815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).