1,1,2,2,2-pentafluoroethanesulfonic acid

C2HF5O3S — CID 10219841

IUPAC1,1,2,2,2-pentafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5O3S/c3-1(4,5)2(6,7)11(8,9)10/h(H,8,9,10)
InChIKeyGKNWQHIXXANPTN-UHFFFAOYSA-N
MW200.08 g/mol
LogP1.03
Rot. Bonds1

About 1,1,2,2,2-pentafluoroethanesulfonic acid

1,1,2,2,2-pentafluoroethanesulfonic acid (PubChem CID 10219841) has the molecular formula C2HF5O3S and a molecular weight of 200.08 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethanesulfonic acid
PubChem CID10219841
Molecular FormulaC2HF5O3S
Molecular Weight200.08 g/mol
Exact Mass199.96
IUPAC Name1,1,2,2,2-pentafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5O3S/c3-1(4,5)2(6,7)11(8,9)10/h(H,8,9,10)
InChIKeyGKNWQHIXXANPTN-UHFFFAOYSA-N
XLogP1.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1,1,2,2,2-pentafluoroethanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Perfluorobutanesulfonic acid
CID 67815
1-Butanesulfinic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-
CID 596595
Pentafluoroethylsulfonyl chloride
CID 324968
Perfluoropentanesulfonic acid
CID 75922
1,1,2,2-Tetrafluoroethanesulfonic acid
CID 10176391
1-Propanesulfonic acid, 1,1,2,3,3,3-hexafluoro-
CID 9794628
Perfluoropropanesulfonic acid
CID 9859771
Ethanesulfonyl fluoride, 1,1,2,2,2-pentafluoro-
CID 6451567
Chloro-perfluoroethane sulfonate
CID 12574726
Perfluoro-3-(pentafluoro-lambda6-sulfanyl)-1-propanesulfonic acid
CID 139595495
Pentafluoroethanesulfinic acid
CID 12663632
1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propanesulphonic acid
CID 3022201

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethanesulfonic acid?
The IUPAC name of 1,1,2,2,2-pentafluoroethanesulfonic acid (CID 10219841) is 1,1,2,2,2-pentafluoroethanesulfonic acid.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethanesulfonic acid?
The canonical SMILES for 1,1,2,2,2-pentafluoroethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethanesulfonic acid?
The InChIKey is GKNWQHIXXANPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5O3S/c3-1(4,5)2(6,7)11(8,9)10/h(H,8,9,10).
What are the key properties of 1,1,2,2,2-pentafluoroethanesulfonic acid?
1,1,2,2,2-pentafluoroethanesulfonic acid has a molecular weight of 200.08 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethanesulfonic acid is sourced from PubChem (CID 10219841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).