1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane

C4H5F5O2S — CID 22015919

IUPAC1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane
SMILESCCS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5O2S/c1-2-12(10,11)4(8,9)3(5,6)7/h2H2,1H3
InChIKeyXHRXNMCTHWMKSM-UHFFFAOYSA-N
MW212.14 g/mol
LogP1.58
Rot. Bonds2

About 1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane

1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane (PubChem CID 22015919) has the molecular formula C4H5F5O2S and a molecular weight of 212.14 g/mol. Its IUPAC name is 1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Name1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane
PubChem CID22015919
Molecular FormulaC4H5F5O2S
Molecular Weight212.14 g/mol
Exact Mass211.99
IUPAC Name1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane
SMILESCCS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F5O2S/c1-2-12(10,11)4(8,9)3(5,6)7/h2H2,1H3
InChIKeyXHRXNMCTHWMKSM-UHFFFAOYSA-N
XLogP1.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane?
The IUPAC name of 1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane (CID 22015919) is 1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for 1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for 1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane is CCS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane?
The InChIKey is XHRXNMCTHWMKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O2S/c1-2-12(10,11)4(8,9)3(5,6)7/h2H2,1H3.
What are the key properties of 1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane?
1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane has a molecular weight of 212.14 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 22015919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).