1,3-difluoropropane-2-sulfinate

C3H5F2O2S- — CID 23206817

IUPAC1,3-difluoropropane-2-sulfinate
SMILESO=S([O-])C(CF)CF
InChIInChI=1S/C3H6F2O2S/c4-1-3(2-5)8(6)7/h3H,1-2H2,(H,6,7)/p-1
InChIKeyQULDIQLWBDVZEF-UHFFFAOYSA-M
MW143.13 g/mol
LogP0.17
Rot. Bonds3

About 1,3-difluoropropane-2-sulfinate

1,3-difluoropropane-2-sulfinate (PubChem CID 23206817) has the molecular formula C3H5F2O2S- and a molecular weight of 143.13 g/mol. Its IUPAC name is 1,3-difluoropropane-2-sulfinate.

Molecular Properties

Compound Name1,3-difluoropropane-2-sulfinate
PubChem CID23206817
Molecular FormulaC3H5F2O2S-
Molecular Weight143.13 g/mol
Exact Mass143.00
IUPAC Name1,3-difluoropropane-2-sulfinate
SMILESO=S([O-])C(CF)CF
InChIInChI=1S/C3H6F2O2S/c4-1-3(2-5)8(6)7/h3H,1-2H2,(H,6,7)/p-1
InChIKeyQULDIQLWBDVZEF-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 1,3-difluoropropane-2-sulfinate?
The IUPAC name of 1,3-difluoropropane-2-sulfinate (CID 23206817) is 1,3-difluoropropane-2-sulfinate.
What is the SMILES notation for 1,3-difluoropropane-2-sulfinate?
The canonical SMILES for 1,3-difluoropropane-2-sulfinate is O=S([O-])C(CF)CF.
What is the InChIKey of 1,3-difluoropropane-2-sulfinate?
The InChIKey is QULDIQLWBDVZEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6F2O2S/c4-1-3(2-5)8(6)7/h3H,1-2H2,(H,6,7)/p-1.
What are the key properties of 1,3-difluoropropane-2-sulfinate?
1,3-difluoropropane-2-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 1,3-difluoropropane-2-sulfinate is sourced from PubChem (CID 23206817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).