1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate

C4F10O3S — CID 12694827

IUPAC1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)(OC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O3S/c5-1(6,7)3(11,12)17-18(15,16)4(13,14)2(8,9)10
InChIKeyPCNRRWNXRKZDDX-UHFFFAOYSA-N
MW318.09 g/mol
LogP2.64
Rot. Bonds3

About 1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate

1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate (PubChem CID 12694827) has the molecular formula C4F10O3S and a molecular weight of 318.09 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate
PubChem CID12694827
Molecular FormulaC4F10O3S
Molecular Weight318.09 g/mol
Exact Mass317.94
IUPAC Name1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate
SMILESO=S(=O)(OC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4F10O3S/c5-1(6,7)3(11,12)17-18(15,16)4(13,14)2(8,9)10
InChIKeyPCNRRWNXRKZDDX-UHFFFAOYSA-N
XLogP2.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate?
The IUPAC name of 1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate (CID 12694827) is 1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate?
The canonical SMILES for 1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate is O=S(=O)(OC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate?
The InChIKey is PCNRRWNXRKZDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10O3S/c5-1(6,7)3(11,12)17-18(15,16)4(13,14)2(8,9)10.
What are the key properties of 1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate?
1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate has a molecular weight of 318.09 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethyl 1,1,2,2,2-pentafluoroethanesulfonate is sourced from PubChem (CID 12694827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).