fluoro methanesulfonate;1,1,2,2-tetrafluoroethane

C3H5F5O3S — CID 121394090

IUPACfluoro methanesulfonate;1,1,2,2-tetrafluoroethane
SMILESCS(=O)(=O)OF.FC(F)C(F)F
InChIInChI=1S/C2H2F4.CH3FO3S/c3-1(4)2(5)6;1-6(3,4)5-2/h1-2H;1H3
InChIKeyHMYQIYKTHSXAED-UHFFFAOYSA-N
MW216.13 g/mol
LogP1.36
Rot. Bonds2

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

fluoro methanesulfonate;1,1,2,2-tetrafluoroethane (PubChem CID 121394090) has the molecular formula C3H5F5O3S and a molecular weight of 216.13 g/mol. Its IUPAC name is fluoro methanesulfonate;1,1,2,2-tetrafluoroethane.

Molecular Properties

Compound Namefluoro methanesulfonate;1,1,2,2-tetrafluoroethane
PubChem CID121394090
Molecular FormulaC3H5F5O3S
Molecular Weight216.13 g/mol
Exact Mass215.99
IUPAC Namefluoro methanesulfonate;1,1,2,2-tetrafluoroethane
SMILESCS(=O)(=O)OF.FC(F)C(F)F
InChIInChI=1S/C2H2F4.CH3FO3S/c3-1(4)2(5)6;1-6(3,4)5-2/h1-2H;1H3
InChIKeyHMYQIYKTHSXAED-UHFFFAOYSA-N
XLogP1.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.13
LogP ≤ 51.36
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;1,1,2,2-tetrafluoroethane?
The IUPAC name of fluoro methanesulfonate;1,1,2,2-tetrafluoroethane (CID 121394090) is fluoro methanesulfonate;1,1,2,2-tetrafluoroethane.
What is the SMILES notation for fluoro methanesulfonate;1,1,2,2-tetrafluoroethane?
The canonical SMILES for fluoro methanesulfonate;1,1,2,2-tetrafluoroethane is CS(=O)(=O)OF.FC(F)C(F)F.
What is the InChIKey of fluoro methanesulfonate;1,1,2,2-tetrafluoroethane?
The InChIKey is HMYQIYKTHSXAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4.CH3FO3S/c3-1(4)2(5)6;1-6(3,4)5-2/h1-2H;1H3.
What are the key properties of fluoro methanesulfonate;1,1,2,2-tetrafluoroethane?
fluoro methanesulfonate;1,1,2,2-tetrafluoroethane has a molecular weight of 216.13 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro methanesulfonate;1,1,2,2-tetrafluoroethane is sourced from PubChem (CID 121394090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).