1,1,2-trifluoroethanesulfinate

C2H2F3O2S- — CID 19800889

IUPAC1,1,2-trifluoroethanesulfinate
SMILESO=S([O-])C(F)(F)CF
InChIInChI=1S/C2H3F3O2S/c3-1-2(4,5)8(6)7/h1H2,(H,6,7)/p-1
InChIKeyZLLJUUKKBAFOHF-UHFFFAOYSA-M
MW147.10 g/mol
LogP0.43
Rot. Bonds2

About 1,1,2-trifluoroethanesulfinate

1,1,2-trifluoroethanesulfinate (PubChem CID 19800889) has the molecular formula C2H2F3O2S- and a molecular weight of 147.10 g/mol. Its IUPAC name is 1,1,2-trifluoroethanesulfinate.

Molecular Properties

Compound Name1,1,2-trifluoroethanesulfinate
PubChem CID19800889
Molecular FormulaC2H2F3O2S-
Molecular Weight147.10 g/mol
Exact Mass146.97
IUPAC Name1,1,2-trifluoroethanesulfinate
SMILESO=S([O-])C(F)(F)CF
InChIInChI=1S/C2H3F3O2S/c3-1-2(4,5)8(6)7/h1H2,(H,6,7)/p-1
InChIKeyZLLJUUKKBAFOHF-UHFFFAOYSA-M
XLogP0.43
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.10
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoroethanesulfinate?
The IUPAC name of 1,1,2-trifluoroethanesulfinate (CID 19800889) is 1,1,2-trifluoroethanesulfinate.
What is the SMILES notation for 1,1,2-trifluoroethanesulfinate?
The canonical SMILES for 1,1,2-trifluoroethanesulfinate is O=S([O-])C(F)(F)CF.
What is the InChIKey of 1,1,2-trifluoroethanesulfinate?
The InChIKey is ZLLJUUKKBAFOHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H3F3O2S/c3-1-2(4,5)8(6)7/h1H2,(H,6,7)/p-1.
What are the key properties of 1,1,2-trifluoroethanesulfinate?
1,1,2-trifluoroethanesulfinate has a molecular weight of 147.10 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoroethanesulfinate is sourced from PubChem (CID 19800889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).