sodium 1,1-difluoroethanesulfinate

C2H3F2NaO2S — CID 117065045

IUPACsodium 1,1-difluoroethanesulfinate
SMILESCC(F)(F)S(=O)[O-].[Na+]
InChIInChI=1S/C2H4F2O2S.Na/c1-2(3,4)7(5)6;/h1H3,(H,5,6);/q;+1/p-1
InChIKeyYAUVUSSCQUHHFC-UHFFFAOYSA-M
MW152.10 g/mol
LogP-2.52
Rot. Bonds1

About sodium 1,1-difluoroethanesulfinate

sodium 1,1-difluoroethanesulfinate (PubChem CID 117065045) has the molecular formula C2H3F2NaO2S and a molecular weight of 152.10 g/mol. Its IUPAC name is sodium 1,1-difluoroethanesulfinate.

Molecular Properties

Compound Namesodium 1,1-difluoroethanesulfinate
PubChem CID117065045
Molecular FormulaC2H3F2NaO2S
Molecular Weight152.10 g/mol
Exact Mass151.97
IUPAC Namesodium 1,1-difluoroethanesulfinate
SMILESCC(F)(F)S(=O)[O-].[Na+]
InChIInChI=1S/C2H4F2O2S.Na/c1-2(3,4)7(5)6;/h1H3,(H,5,6);/q;+1/p-1
InChIKeyYAUVUSSCQUHHFC-UHFFFAOYSA-M
XLogP-2.52
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.10
LogP ≤ 5-2.52
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

ethane;trifluoromethanesulfinate
CID 89437311
tris(trifluoromethanesulfinate);ytterbium(3+)
CID 134992343
1,1-diaminoethanesulfinate
CID 90404877
CID 175447922
CID 175447922
disodium;sulfite
CID 516934
sulfuric acid;trifluoromethanesulfinate
CID 175095514
2-bromo-1,1,2,2-tetrafluoroethanesulfinate
CID 91807241
lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate
CID 174871743
potassium;hydride;1,1,2,2,2-pentafluoroethanesulfinate
CID 174997119
3,3,5,6,6-pentafluoro-2,4,4-trimethylhex-5-ene-2-sulfinate
CID 89197566
CID 172834092
CID 172834092
sodium 2-ethoxy-1,1-difluoro-2-oxoethanesulfinate
CID 163366112

Frequently Asked Questions

What is the IUPAC name of sodium 1,1-difluoroethanesulfinate?
The IUPAC name of sodium 1,1-difluoroethanesulfinate (CID 117065045) is sodium 1,1-difluoroethanesulfinate.
What is the SMILES notation for sodium 1,1-difluoroethanesulfinate?
The canonical SMILES for sodium 1,1-difluoroethanesulfinate is CC(F)(F)S(=O)[O-].[Na+].
What is the InChIKey of sodium 1,1-difluoroethanesulfinate?
The InChIKey is YAUVUSSCQUHHFC-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4F2O2S.Na/c1-2(3,4)7(5)6;/h1H3,(H,5,6);/q;+1/p-1.
What are the key properties of sodium 1,1-difluoroethanesulfinate?
sodium 1,1-difluoroethanesulfinate has a molecular weight of 152.10 g/mol, XLogP of -2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,1-difluoroethanesulfinate is sourced from PubChem (CID 117065045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).