2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate

C10H11F8O4S- — CID 58961934

IUPAC2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C10H12F8O4S/c11-7(12,6-4-2-1-3-5-6)8(13,14)22-9(15,16)10(17,18)23(19,20)21/h6H,1-5H2,(H,19,20,21)/p-1
InChIKeyNSHCAEKQVYCAOL-UHFFFAOYSA-M
MW379.25 g/mol
LogP3.54
Rot. Bonds6

About 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate

2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate (PubChem CID 58961934) has the molecular formula C10H11F8O4S- and a molecular weight of 379.25 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate.

Molecular Properties

Compound Name2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate
PubChem CID58961934
Molecular FormulaC10H11F8O4S-
Molecular Weight379.25 g/mol
Exact Mass379.03
IUPAC Name2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C1CCCCC1
InChIInChI=1S/C10H12F8O4S/c11-7(12,6-4-2-1-3-5-6)8(13,14)22-9(15,16)10(17,18)23(19,20)21/h6H,1-5H2,(H,19,20,21)/p-1
InChIKeyNSHCAEKQVYCAOL-UHFFFAOYSA-M
XLogP3.54
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate?
The IUPAC name of 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate (CID 58961934) is 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate.
What is the SMILES notation for 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate?
The canonical SMILES for 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate?
The InChIKey is NSHCAEKQVYCAOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12F8O4S/c11-7(12,6-4-2-1-3-5-6)8(13,14)22-9(15,16)10(17,18)23(19,20)21/h6H,1-5H2,(H,19,20,21)/p-1.
What are the key properties of 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate?
2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate has a molecular weight of 379.25 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonate is sourced from PubChem (CID 58961934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).