fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane

C3H4F6O3S — CID 122622426

IUPACfluoro methanesulfonate;1,1,1,2,2-pentafluoroethane
SMILESCS(=O)(=O)OF.FC(F)C(F)(F)F
InChIInChI=1S/C2HF5.CH3FO3S/c3-1(4)2(5,6)7;1-6(3,4)5-2/h1H;1H3
InChIKeyLXPCZQJWDXLWDK-UHFFFAOYSA-N
MW234.12 g/mol
LogP1.66
Rot. Bonds1

About fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane

fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane (PubChem CID 122622426) has the molecular formula C3H4F6O3S and a molecular weight of 234.12 g/mol. Its IUPAC name is fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane.

Molecular Properties

Compound Namefluoro methanesulfonate;1,1,1,2,2-pentafluoroethane
PubChem CID122622426
Molecular FormulaC3H4F6O3S
Molecular Weight234.12 g/mol
Exact Mass233.98
IUPAC Namefluoro methanesulfonate;1,1,1,2,2-pentafluoroethane
SMILESCS(=O)(=O)OF.FC(F)C(F)(F)F
InChIInChI=1S/C2HF5.CH3FO3S/c3-1(4)2(5,6)7;1-6(3,4)5-2/h1H;1H3
InChIKeyLXPCZQJWDXLWDK-UHFFFAOYSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane?
The IUPAC name of fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane (CID 122622426) is fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane.
What is the SMILES notation for fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane?
The canonical SMILES for fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane is CS(=O)(=O)OF.FC(F)C(F)(F)F.
What is the InChIKey of fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane?
The InChIKey is LXPCZQJWDXLWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5.CH3FO3S/c3-1(4)2(5,6)7;1-6(3,4)5-2/h1H;1H3.
What are the key properties of fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane?
fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane has a molecular weight of 234.12 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro methanesulfonate;1,1,1,2,2-pentafluoroethane is sourced from PubChem (CID 122622426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).