1,1,2,2,2-pentafluoroethanesulfinic acid

C2HF5O2S — CID 12663632

IUPAC1,1,2,2,2-pentafluoroethanesulfinic acid
SMILESO=S(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5O2S/c3-1(4,5)2(6,7)10(8)9/h(H,8,9)
InChIKeyMOFLIWVSDXPEDX-UHFFFAOYSA-N
MW184.09 g/mol
LogP1.36
Rot. Bonds1

About 1,1,2,2,2-pentafluoroethanesulfinic acid

1,1,2,2,2-pentafluoroethanesulfinic acid (PubChem CID 12663632) has the molecular formula C2HF5O2S and a molecular weight of 184.09 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethanesulfinic acid.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethanesulfinic acid
PubChem CID12663632
Molecular FormulaC2HF5O2S
Molecular Weight184.09 g/mol
Exact Mass183.96
IUPAC Name1,1,2,2,2-pentafluoroethanesulfinic acid
SMILESO=S(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5O2S/c3-1(4,5)2(6,7)10(8)9/h(H,8,9)
InChIKeyMOFLIWVSDXPEDX-UHFFFAOYSA-N
XLogP1.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.09
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Perfluorobutanesulfonic acid
CID 67815
1-Butanesulfinic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-
CID 596595
Pentafluoroethanesulfonic acid
CID 10219841
1,1,2,2-Tetrafluoroethanesulfonic acid
CID 10176391
Perfluoropropanesulfonic acid
CID 9859771
Perfluoropentane-1-sulfinic acid
CID 22186453
Heptafluoro-1-propanesulfinic acid
CID 22186452
Tetrafluoro-1,2-ethanedisulfonic acid
CID 13848000
1,1,1,2,3,3,3-Heptafluoro-propane-2-sulfinic acid
CID 12522022
13C3-Pfbs
CID 165360271
2-Chloro-1,1,2,2-tetrafluoroethanesulfinic acid
CID 12181211
PentaFluoroSulfide-perfluoroethane sulfonate
CID 163323944

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethanesulfinic acid?
The IUPAC name of 1,1,2,2,2-pentafluoroethanesulfinic acid (CID 12663632) is 1,1,2,2,2-pentafluoroethanesulfinic acid.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethanesulfinic acid?
The canonical SMILES for 1,1,2,2,2-pentafluoroethanesulfinic acid is O=S(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethanesulfinic acid?
The InChIKey is MOFLIWVSDXPEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5O2S/c3-1(4,5)2(6,7)10(8)9/h(H,8,9).
What are the key properties of 1,1,2,2,2-pentafluoroethanesulfinic acid?
1,1,2,2,2-pentafluoroethanesulfinic acid has a molecular weight of 184.09 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethanesulfinic acid is sourced from PubChem (CID 12663632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).