1,1-difluoropropane-2-sulfinate

C3H5F2O2S- — CID 56992339

IUPAC1,1-difluoropropane-2-sulfinate
SMILESCC(C(F)F)S(=O)[O-]
InChIInChI=1S/C3H6F2O2S/c1-2(3(4)5)8(6)7/h2-3H,1H3,(H,6,7)/p-1
InChIKeyZSNZSYWKYNDKFE-UHFFFAOYSA-M
MW143.13 g/mol
LogP0.52
Rot. Bonds2

About 1,1-difluoropropane-2-sulfinate

1,1-difluoropropane-2-sulfinate (PubChem CID 56992339) has the molecular formula C3H5F2O2S- and a molecular weight of 143.13 g/mol. Its IUPAC name is 1,1-difluoropropane-2-sulfinate.

Molecular Properties

Compound Name1,1-difluoropropane-2-sulfinate
PubChem CID56992339
Molecular FormulaC3H5F2O2S-
Molecular Weight143.13 g/mol
Exact Mass143.00
IUPAC Name1,1-difluoropropane-2-sulfinate
SMILESCC(C(F)F)S(=O)[O-]
InChIInChI=1S/C3H6F2O2S/c1-2(3(4)5)8(6)7/h2-3H,1H3,(H,6,7)/p-1
InChIKeyZSNZSYWKYNDKFE-UHFFFAOYSA-M
XLogP0.52
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.13
LogP ≤ 50.52
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

3,3,3-Trifluoropropanesulfinic acid sodium salt
CID 50998692
3,3,3-Trifluoropropane-1-sulfonyl chloride
CID 2761177
3,3-Difluoropropane-1-sulfonyl chloride
CID 55263296
1,1,1-Trifluoropropane-2-sulfonyl chloride
CID 73994686
2,2-Difluoropropane-1-sulfonyl chloride
CID 84656710
3,3-Difluorobutane-1-sulfonyl chloride
CID 84664403
2,2-Difluorobutane-1-sulfonyl chloride
CID 105446602
2,2,2-Trifluoroethanesulfinate
CID 21714686
1,1-Difluoropropane-2-sulfonyl chloride
CID 122163554
Sodium 4,4,4-trifluorobutane-1-sulfinate
CID 130538110
2,2-Difluoropropane-1-sulfinic acid
CID 135993223
1,1,1-Trifluoro-2-methylsulfanylsulfonylethane
CID 2760708

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoropropane-2-sulfinate?
The IUPAC name of 1,1-difluoropropane-2-sulfinate (CID 56992339) is 1,1-difluoropropane-2-sulfinate.
What is the SMILES notation for 1,1-difluoropropane-2-sulfinate?
The canonical SMILES for 1,1-difluoropropane-2-sulfinate is CC(C(F)F)S(=O)[O-].
What is the InChIKey of 1,1-difluoropropane-2-sulfinate?
The InChIKey is ZSNZSYWKYNDKFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6F2O2S/c1-2(3(4)5)8(6)7/h2-3H,1H3,(H,6,7)/p-1.
What are the key properties of 1,1-difluoropropane-2-sulfinate?
1,1-difluoropropane-2-sulfinate has a molecular weight of 143.13 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropropane-2-sulfinate is sourced from PubChem (CID 56992339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).