1,1,3,3-tetrafluoropropane-2-sulfinate

C3H3F4O2S- — CID 91562788

IUPAC1,1,3,3-tetrafluoropropane-2-sulfinate
SMILESO=S([O-])C(C(F)F)C(F)F
InChIInChI=1S/C3H4F4O2S/c4-2(5)1(3(6)7)10(8)9/h1-3H,(H,8,9)/p-1
InChIKeyPSRMMVFMKVEGAN-UHFFFAOYSA-M
MW179.11 g/mol
LogP0.76
Rot. Bonds3

About 1,1,3,3-tetrafluoropropane-2-sulfinate

1,1,3,3-tetrafluoropropane-2-sulfinate (PubChem CID 91562788) has the molecular formula C3H3F4O2S- and a molecular weight of 179.11 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoropropane-2-sulfinate.

Molecular Properties

Compound Name1,1,3,3-tetrafluoropropane-2-sulfinate
PubChem CID91562788
Molecular FormulaC3H3F4O2S-
Molecular Weight179.11 g/mol
Exact Mass178.98
IUPAC Name1,1,3,3-tetrafluoropropane-2-sulfinate
SMILESO=S([O-])C(C(F)F)C(F)F
InChIInChI=1S/C3H4F4O2S/c4-2(5)1(3(6)7)10(8)9/h1-3H,(H,8,9)/p-1
InChIKeyPSRMMVFMKVEGAN-UHFFFAOYSA-M
XLogP0.76
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.11
LogP ≤ 50.76
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

zinc;bis(difluoromethanesulfinate);hydrate
CID 140663281
lithium;amino(fluoro)methanesulfinate;hydride
CID 174808925
2,2-difluoroethanesulfinate
CID 23206833
1,1,3,4-tetrafluoro-4-hydroxybutane-2-sulfinic acid
CID 174730302
dimethylphosphoryl(fluoro)methanesulfinate;rhenium
CID 59908256
fluoro(phenyl)methanesulfinate
CID 18935920
1,2,2-trifluoro-2-methoxyethanesulfinate
CID 89191515
2-fluoropropane-1-sulfinate
CID 23206811
dicopper disulfite
CID 170844287
cobalt(2+) sulfite
CID 18760923
fluoro-[5-(trifluoromethyl)-2H-triazol-4-yl]methanesulfinate
CID 130420917
ruthenium(2+) sulfite
CID 22610794

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrafluoropropane-2-sulfinate?
The IUPAC name of 1,1,3,3-tetrafluoropropane-2-sulfinate (CID 91562788) is 1,1,3,3-tetrafluoropropane-2-sulfinate.
What is the SMILES notation for 1,1,3,3-tetrafluoropropane-2-sulfinate?
The canonical SMILES for 1,1,3,3-tetrafluoropropane-2-sulfinate is O=S([O-])C(C(F)F)C(F)F.
What is the InChIKey of 1,1,3,3-tetrafluoropropane-2-sulfinate?
The InChIKey is PSRMMVFMKVEGAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4F4O2S/c4-2(5)1(3(6)7)10(8)9/h1-3H,(H,8,9)/p-1.
What are the key properties of 1,1,3,3-tetrafluoropropane-2-sulfinate?
1,1,3,3-tetrafluoropropane-2-sulfinate has a molecular weight of 179.11 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoropropane-2-sulfinate is sourced from PubChem (CID 91562788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).