1,1,2-trifluoroethanesulfinic acid

C2H3F3O2S — CID 19800890

IUPAC1,1,2-trifluoroethanesulfinic acid
SMILESO=S(O)C(F)(F)CF
InChIInChI=1S/C2H3F3O2S/c3-1-2(4,5)8(6)7/h1H2,(H,6,7)
InChIKeyZLLJUUKKBAFOHF-UHFFFAOYSA-N
MW148.10 g/mol
LogP0.77
Rot. Bonds2

About 1,1,2-trifluoroethanesulfinic acid

1,1,2-trifluoroethanesulfinic acid (PubChem CID 19800890) has the molecular formula C2H3F3O2S and a molecular weight of 148.10 g/mol. Its IUPAC name is 1,1,2-trifluoroethanesulfinic acid.

Molecular Properties

Compound Name1,1,2-trifluoroethanesulfinic acid
PubChem CID19800890
Molecular FormulaC2H3F3O2S
Molecular Weight148.10 g/mol
Exact Mass147.98
IUPAC Name1,1,2-trifluoroethanesulfinic acid
SMILESO=S(O)C(F)(F)CF
InChIInChI=1S/C2H3F3O2S/c3-1-2(4,5)8(6)7/h1H2,(H,6,7)
InChIKeyZLLJUUKKBAFOHF-UHFFFAOYSA-N
XLogP0.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

1,1,2,2-Tetrafluoroethanesulfonic acid
CID 10176391
1-Propanesulfonic acid, 1,1,2,3,3,3-hexafluoro-
CID 9794628
Pentafluoroethanesulfinic acid
CID 12663632
HPFLSA_i n=3
CID 18402783
Ethanesulfonic acid, 2,2,2-trifluoro-
CID 3014047
1,1-Difluoroethanesulfonic acid
CID 21946969
1,1-Difluoroethanesulfinate
CID 57002230
Pentafluoropropane-2-sulfonic acid
CID 129809268
(2R)-1,1,2,3,3,3-hexafluoropropane-1-sulfonic acid
CID 26596721
2,2,2-trifluoroethanesulfinic Acid
CID 11789627
1,1,2,2,3-Pentafluoropropane-1-sulfonic acid
CID 18462059
1,1,2-Trifluoroethanesulfinate
CID 19800889

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoroethanesulfinic acid?
The IUPAC name of 1,1,2-trifluoroethanesulfinic acid (CID 19800890) is 1,1,2-trifluoroethanesulfinic acid.
What is the SMILES notation for 1,1,2-trifluoroethanesulfinic acid?
The canonical SMILES for 1,1,2-trifluoroethanesulfinic acid is O=S(O)C(F)(F)CF.
What is the InChIKey of 1,1,2-trifluoroethanesulfinic acid?
The InChIKey is ZLLJUUKKBAFOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3O2S/c3-1-2(4,5)8(6)7/h1H2,(H,6,7).
What are the key properties of 1,1,2-trifluoroethanesulfinic acid?
1,1,2-trifluoroethanesulfinic acid has a molecular weight of 148.10 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoroethanesulfinic acid is sourced from PubChem (CID 19800890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).