1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate

C14H10F16O8S2-2 — CID 58616488

IUPAC1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C1CCC(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-])CC1
InChIInChI=1S/C14H12F16O8S2/c15-7(16,9(19,20)35-11(23,24)13(27,28)39-38-37-31)5-1-3-6(4-2-5)8(17,18)10(21,22)36-12(25,26)14(29,30)40(32,33)34/h5-6,31H,1-4H2,(H,32,33,34)/p-2
InChIKeyQAHIRYAFAMAGCQ-UHFFFAOYSA-L
MW674.33 g/mol
LogP5.07
Rot. Bonds14

About 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate

1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate (PubChem CID 58616488) has the molecular formula C14H10F16O8S2-2 and a molecular weight of 674.33 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate
PubChem CID58616488
Molecular FormulaC14H10F16O8S2-2
Molecular Weight674.33 g/mol
Exact Mass673.96
IUPAC Name1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate
SMILESO=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C1CCC(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-])CC1
InChIInChI=1S/C14H12F16O8S2/c15-7(16,9(19,20)35-11(23,24)13(27,28)39-38-37-31)5-1-3-6(4-2-5)8(17,18)10(21,22)36-12(25,26)14(29,30)40(32,33)34/h5-6,31H,1-4H2,(H,32,33,34)/p-2
InChIKeyQAHIRYAFAMAGCQ-UHFFFAOYSA-L
XLogP5.07
TPSA117.18 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.33
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate 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 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate?
The IUPAC name of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate (CID 58616488) is 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate is O=S(=O)([O-])C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C1CCC(C(F)(F)C(F)(F)OC(F)(F)C(F)(F)SOO[O-])CC1.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate?
The InChIKey is QAHIRYAFAMAGCQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12F16O8S2/c15-7(16,9(19,20)35-11(23,24)13(27,28)39-38-37-31)5-1-3-6(4-2-5)8(17,18)10(21,22)36-12(25,26)14(29,30)40(32,33)34/h5-6,31H,1-4H2,(H,32,33,34)/p-2.
What are the key properties of 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate?
1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate has a molecular weight of 674.33 g/mol, XLogP of 5.07, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[4-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-oxidoperoxysulfanylethoxy)ethyl]cyclohexyl]ethoxy]ethanesulfonate is sourced from PubChem (CID 58616488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).