2,3-difluoropropane-1-sulfinate

C3H5F2O2S- — CID 23206829

IUPAC2,3-difluoropropane-1-sulfinate
SMILESO=S([O-])CC(F)CF
InChIInChI=1S/C3H6F2O2S/c4-1-3(5)2-8(6)7/h3H,1-2H2,(H,6,7)/p-1
InChIKeySAZYGTDCVVHJCC-UHFFFAOYSA-M
MW143.13 g/mol
LogP0.17
Rot. Bonds3

About 2,3-difluoropropane-1-sulfinate

2,3-difluoropropane-1-sulfinate (PubChem CID 23206829) has the molecular formula C3H5F2O2S- and a molecular weight of 143.13 g/mol. Its IUPAC name is 2,3-difluoropropane-1-sulfinate.

Molecular Properties

Compound Name2,3-difluoropropane-1-sulfinate
PubChem CID23206829
Molecular FormulaC3H5F2O2S-
Molecular Weight143.13 g/mol
Exact Mass143.00
IUPAC Name2,3-difluoropropane-1-sulfinate
SMILESO=S([O-])CC(F)CF
InChIInChI=1S/C3H6F2O2S/c4-1-3(5)2-8(6)7/h3H,1-2H2,(H,6,7)/p-1
InChIKeySAZYGTDCVVHJCC-UHFFFAOYSA-M
XLogP0.17
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.13
LogP ≤ 50.17
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

Ethanesulfonyl fluoride, 2-fluoro-
CID 68029
Propanesulfonyl fluoride, 3-fluoro-
CID 68033
3,3,3-Trifluoropropanesulfinic acid sodium salt
CID 50998692
3-Fluoropropane-1-sulfonyl chloride
CID 21114841
3,3,3-Trifluoropropane-1-sulfonyl chloride
CID 2761177
3,3-Difluoropropane-1-sulfonyl chloride
CID 55263296
3-Fluoropropanesulfonate
CID 132622
2,2,2-Trifluoroethanesulfinate
CID 21714686
Sodium 4,4,4-trifluorobutane-1-sulfinate
CID 130538110
Sodium 2-fluoroethane-1-sulfinate
CID 130538127
2,2-Difluoropropane-1-sulfinic acid
CID 135993223
1,1,1,3,3,3-Hexafluoropropane-2-sulfinate
CID 13623873

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoropropane-1-sulfinate?
The IUPAC name of 2,3-difluoropropane-1-sulfinate (CID 23206829) is 2,3-difluoropropane-1-sulfinate.
What is the SMILES notation for 2,3-difluoropropane-1-sulfinate?
The canonical SMILES for 2,3-difluoropropane-1-sulfinate is O=S([O-])CC(F)CF.
What is the InChIKey of 2,3-difluoropropane-1-sulfinate?
The InChIKey is SAZYGTDCVVHJCC-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6F2O2S/c4-1-3(5)2-8(6)7/h3H,1-2H2,(H,6,7)/p-1.
What are the key properties of 2,3-difluoropropane-1-sulfinate?
2,3-difluoropropane-1-sulfinate has a molecular weight of 143.13 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoropropane-1-sulfinate is sourced from PubChem (CID 23206829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).