2,2,2-trifluoroethanesulfinic acid

C2H3F3O2S — CID 11789627

IUPAC2,2,2-trifluoroethanesulfinic acid
SMILESO=S(O)CC(F)(F)F
InChIInChI=1S/C2H3F3O2S/c3-2(4,5)1-8(6)7/h1H2,(H,6,7)
InChIKeyFHYFYGPYISWMLL-UHFFFAOYSA-N
MW148.10 g/mol
LogP0.77
Rot. Bonds1

About 2,2,2-trifluoroethanesulfinic acid

2,2,2-trifluoroethanesulfinic acid (PubChem CID 11789627) has the molecular formula C2H3F3O2S and a molecular weight of 148.10 g/mol. Its IUPAC name is 2,2,2-trifluoroethanesulfinic acid.

Molecular Properties

Compound Name2,2,2-trifluoroethanesulfinic acid
PubChem CID11789627
Molecular FormulaC2H3F3O2S
Molecular Weight148.10 g/mol
Exact Mass147.98
IUPAC Name2,2,2-trifluoroethanesulfinic acid
SMILESO=S(O)CC(F)(F)F
InChIInChI=1S/C2H3F3O2S/c3-2(4,5)1-8(6)7/h1H2,(H,6,7)
InChIKeyFHYFYGPYISWMLL-UHFFFAOYSA-N
XLogP0.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,2,2-trifluoroethanesulfinic acid?
The IUPAC name of 2,2,2-trifluoroethanesulfinic acid (CID 11789627) is 2,2,2-trifluoroethanesulfinic acid.
What is the SMILES notation for 2,2,2-trifluoroethanesulfinic acid?
The canonical SMILES for 2,2,2-trifluoroethanesulfinic acid is O=S(O)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethanesulfinic acid?
The InChIKey is FHYFYGPYISWMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O2S/c3-2(4,5)1-8(6)7/h1H2,(H,6,7).
What are the key properties of 2,2,2-trifluoroethanesulfinic acid?
2,2,2-trifluoroethanesulfinic acid has a molecular weight of 148.10 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethanesulfinic acid is sourced from PubChem (CID 11789627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).