sodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate

C2ClF4NaO2S — CID 23719230

IUPACsodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)Cl.[Na+]
InChIInChI=1S/C2HClF4O2S.Na/c3-1(4,5)2(6,7)10(8)9;/h(H,8,9);/q;+1/p-1
InChIKeyYLGLPWNYDQGAKM-UHFFFAOYSA-M
MW222.52 g/mol
LogP-1.71
Rot. Bonds2

About sodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate

sodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate (PubChem CID 23719230) has the molecular formula C2ClF4NaO2S and a molecular weight of 222.52 g/mol. Its IUPAC name is sodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate.

Molecular Properties

Compound Namesodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate
PubChem CID23719230
Molecular FormulaC2ClF4NaO2S
Molecular Weight222.52 g/mol
Exact Mass221.91
IUPAC Namesodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate
SMILESO=S([O-])C(F)(F)C(F)(F)Cl.[Na+]
InChIInChI=1S/C2HClF4O2S.Na/c3-1(4,5)2(6,7)10(8)9;/h(H,8,9);/q;+1/p-1
InChIKeyYLGLPWNYDQGAKM-UHFFFAOYSA-M
XLogP-1.71
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.52
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate?
The IUPAC name of sodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate (CID 23719230) is sodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate.
What is the SMILES notation for sodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate?
The canonical SMILES for sodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate is O=S([O-])C(F)(F)C(F)(F)Cl.[Na+].
What is the InChIKey of sodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate?
The InChIKey is YLGLPWNYDQGAKM-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HClF4O2S.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 2-chloro-1,1,2,2-tetrafluoroethanesulfinate?
sodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate has a molecular weight of 222.52 g/mol, XLogP of -1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-chloro-1,1,2,2-tetrafluoroethanesulfinate is sourced from PubChem (CID 23719230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).