2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid

C10H12F8O4S — CID 58436059

IUPAC2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
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)
InChIKeyNSHCAEKQVYCAOL-UHFFFAOYSA-N
MW380.25 g/mol
LogP3.88
Rot. Bonds6

About 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid

2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid (PubChem CID 58436059) has the molecular formula C10H12F8O4S and a molecular weight of 380.25 g/mol. Its IUPAC name is 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Name2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
PubChem CID58436059
Molecular FormulaC10H12F8O4S
Molecular Weight380.25 g/mol
Exact Mass380.03
IUPAC Name2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
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)
InChIKeyNSHCAEKQVYCAOL-UHFFFAOYSA-N
XLogP3.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-tetrafluoroethanesulfonic acid?
The IUPAC name of 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid (CID 58436059) is 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid 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-tetrafluoroethanesulfonic acid?
The InChIKey is NSHCAEKQVYCAOL-UHFFFAOYSA-N. 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).
What are the key properties of 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid?
2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 380.25 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 58436059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).