1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate

C3F5O2S- — CID 174654581

IUPAC1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate
SMILESO=S([O-])C(F)(F)C(F)=C(F)F
InChIInChI=1S/C3HF5O2S/c4-1(2(5)6)3(7,8)11(9)10/h(H,9,10)/p-1
InChIKeyDENQBLWFBVRSOM-UHFFFAOYSA-M
MW195.09 g/mol
LogP1.54
Rot. Bonds2

About 1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate

1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate (PubChem CID 174654581) has the molecular formula C3F5O2S- and a molecular weight of 195.09 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate
PubChem CID174654581
Molecular FormulaC3F5O2S-
Molecular Weight195.09 g/mol
Exact Mass194.95
IUPAC Name1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate
SMILESO=S([O-])C(F)(F)C(F)=C(F)F
InChIInChI=1S/C3HF5O2S/c4-1(2(5)6)3(7,8)11(9)10/h(H,9,10)/p-1
InChIKeyDENQBLWFBVRSOM-UHFFFAOYSA-M
XLogP1.54
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3,5,6,6-pentafluoro-2,4,4-trimethylhex-5-ene-2-sulfinate
CID 89197566
tris(trifluoromethanesulfinate);ytterbium(3+)
CID 134992343
CID 174637308
CID 174637308
sulfuric acid;trifluoromethanesulfinate
CID 175095514
ethane;trifluoromethanesulfinate
CID 89437311
CID 174756549
CID 174756549
sodium 1,1-difluoroethanesulfinate
CID 117065045
sodium 2-ethoxy-1,1-difluoro-2-oxoethanesulfinate
CID 163366112
sodium;carbanylium;bis(1,1-difluoro-2-hydroxyethanesulfinate);1,1-difluoro-2-hydroxy-2-oxoethanesulfinate
CID 58463139
CID 175447922
CID 175447922
1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate?
The IUPAC name of 1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate (CID 174654581) is 1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate.
What is the SMILES notation for 1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate?
The canonical SMILES for 1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate is O=S([O-])C(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate?
The InChIKey is DENQBLWFBVRSOM-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HF5O2S/c4-1(2(5)6)3(7,8)11(9)10/h(H,9,10)/p-1.
What are the key properties of 1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate?
1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate has a molecular weight of 195.09 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoroprop-2-ene-1-sulfinate is sourced from PubChem (CID 174654581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).