1,1,2,3,3,3-hexafluoropropane-1-sulfinate

C3HF6O2S- — CID 22077322

IUPAC1,1,2,3,3,3-hexafluoropropane-1-sulfinate
SMILESO=S([O-])C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C3H2F6O2S/c4-1(2(5,6)7)3(8,9)12(10)11/h1H,(H,10,11)/p-1
InChIKeyHCVWORJZGGJSQJ-UHFFFAOYSA-M
MW215.09 g/mol
LogP1.36
Rot. Bonds2

About 1,1,2,3,3,3-hexafluoropropane-1-sulfinate

1,1,2,3,3,3-hexafluoropropane-1-sulfinate (PubChem CID 22077322) has the molecular formula C3HF6O2S- and a molecular weight of 215.09 g/mol. Its IUPAC name is 1,1,2,3,3,3-hexafluoropropane-1-sulfinate.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoropropane-1-sulfinate
PubChem CID22077322
Molecular FormulaC3HF6O2S-
Molecular Weight215.09 g/mol
Exact Mass214.96
IUPAC Name1,1,2,3,3,3-hexafluoropropane-1-sulfinate
SMILESO=S([O-])C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C3H2F6O2S/c4-1(2(5,6)7)3(8,9)12(10)11/h1H,(H,10,11)/p-1
InChIKeyHCVWORJZGGJSQJ-UHFFFAOYSA-M
XLogP1.36
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 51.36
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

Potassium 1,1,2,2,3,3,4,4-octafluorobutane-1-sulphonate
CID 23692701
1-Propanesulfonic acid, 1,1,2,3,3,3-hexafluoro-
CID 9794628
Ethanesulfonic acid, 1,1,2,2-tetrafluoro-, sodium salt (1:1)
CID 87303205
HPFLSA_i n=3
CID 18402783
Sodium;1,1,2,2,3,3,3-heptafluoropropane-1-sulfinate
CID 122700064
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfinate
CID 3753314
1,1,2,2-Tetrafluoroethanesulfonic acid fluoride
CID 19695005
2,2-Difluoroethylenesulfonyl fluoride
CID 21344874
1,1-Difluoroethanesulfinate
CID 57002230
1,1,2,2,3,3,4,4-Octafluorobutane-1-sulfonate
CID 178529849
Pentafluoropropane-2-sulfonic acid
CID 129809268
1,1,2,2,3,3,4,4-Octafluorobutane-1-sulfonyl chloride
CID 11077460

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3,3-hexafluoropropane-1-sulfinate?
The IUPAC name of 1,1,2,3,3,3-hexafluoropropane-1-sulfinate (CID 22077322) is 1,1,2,3,3,3-hexafluoropropane-1-sulfinate.
What is the SMILES notation for 1,1,2,3,3,3-hexafluoropropane-1-sulfinate?
The canonical SMILES for 1,1,2,3,3,3-hexafluoropropane-1-sulfinate is O=S([O-])C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,2,3,3,3-hexafluoropropane-1-sulfinate?
The InChIKey is HCVWORJZGGJSQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H2F6O2S/c4-1(2(5,6)7)3(8,9)12(10)11/h1H,(H,10,11)/p-1.
What are the key properties of 1,1,2,3,3,3-hexafluoropropane-1-sulfinate?
1,1,2,3,3,3-hexafluoropropane-1-sulfinate has a molecular weight of 215.09 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3,3-hexafluoropropane-1-sulfinate is sourced from PubChem (CID 22077322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).