sodium 1,1,2,2,2-pentafluoroethanesulfinate

C2F5NaO2S — CID 75530422

IUPACsodium 1,1,2,2,2-pentafluoroethanesulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C2HF5O2S.Na/c3-1(4,5)2(6,7)10(8)9;/h(H,8,9);/q;+1/p-1
InChIKeyGSEKMXCBSQGJMD-UHFFFAOYSA-M
MW206.07 g/mol
LogP-1.98
Rot. Bonds1

About sodium 1,1,2,2,2-pentafluoroethanesulfinate

sodium 1,1,2,2,2-pentafluoroethanesulfinate (PubChem CID 75530422) has the molecular formula C2F5NaO2S and a molecular weight of 206.07 g/mol. Its IUPAC name is sodium 1,1,2,2,2-pentafluoroethanesulfinate.

Molecular Properties

Compound Namesodium 1,1,2,2,2-pentafluoroethanesulfinate
PubChem CID75530422
Molecular FormulaC2F5NaO2S
Molecular Weight206.07 g/mol
Exact Mass205.94
IUPAC Namesodium 1,1,2,2,2-pentafluoroethanesulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)F.[Na+]
InChIInChI=1S/C2HF5O2S.Na/c3-1(4,5)2(6,7)10(8)9;/h(H,8,9);/q;+1/p-1
InChIKeyGSEKMXCBSQGJMD-UHFFFAOYSA-M
XLogP-1.98
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.07
LogP ≤ 5-1.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

Sodium 1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfinate
CID 23671909
Ethanesulfonic acid, 1,1,2,2-tetrafluoro-, sodium salt (1:1)
CID 87303205
1-Butanesulfinic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, sodium salt
CID 3753313
Sodium perfluorobutanesulfonate
CID 23678450
Sodium undecafluoropentane-1-sulfinate
CID 138396477
Sodium;1,1,2,2,3,3,3-heptafluoropropane-1-sulfinate
CID 122700064
sodium;1,1,2,2,3,3,4,4,4-nonafluoro(2,3,4-13C3)butane-1-sulfonate
CID 165360270
Sodium 2-chlorotetrafluoroethanesulfinate
CID 23719230
Fluoro 1,1,2,2,2-pentafluoroethanesulfonate
CID 17764680
1,1,2,2,2-Pentafluoroethanesulfinate
CID 17774127
Pentafluoroethanesulfonate
CID 22062497
1,1,1,2,3,3,3-Heptafluoropropane-2-sulfinate
CID 23123845

Frequently Asked Questions

What is the IUPAC name of sodium 1,1,2,2,2-pentafluoroethanesulfinate?
The IUPAC name of sodium 1,1,2,2,2-pentafluoroethanesulfinate (CID 75530422) is sodium 1,1,2,2,2-pentafluoroethanesulfinate.
What is the SMILES notation for sodium 1,1,2,2,2-pentafluoroethanesulfinate?
The canonical SMILES for sodium 1,1,2,2,2-pentafluoroethanesulfinate is O=S([O-])C(F)(F)C(F)(F)F.[Na+].
What is the InChIKey of sodium 1,1,2,2,2-pentafluoroethanesulfinate?
The InChIKey is GSEKMXCBSQGJMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF5O2S.Na/c3-1(4,5)2(6,7)10(8)9;/h(H,8,9);/q;+1/p-1.
What are the key properties of sodium 1,1,2,2,2-pentafluoroethanesulfinate?
sodium 1,1,2,2,2-pentafluoroethanesulfinate has a molecular weight of 206.07 g/mol, XLogP of -1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,1,2,2,2-pentafluoroethanesulfinate is sourced from PubChem (CID 75530422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).