1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid

C10H8F4O4S — CID 139967692

IUPAC1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid
SMILESC=Cc1ccc(OC(F)(C(F)(F)F)S(=O)(=O)O)cc1
InChIInChI=1S/C10H8F4O4S/c1-2-7-3-5-8(6-4-7)18-10(14,9(11,12)13)19(15,16)17/h2-6H,1H2,(H,15,16,17)
InChIKeyRUSHEJABEQUNIA-UHFFFAOYSA-N
MW300.23 g/mol
LogP2.78
Rot. Bonds4

About 1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid

1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid (PubChem CID 139967692) has the molecular formula C10H8F4O4S and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Name1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid
PubChem CID139967692
Molecular FormulaC10H8F4O4S
Molecular Weight300.23 g/mol
Exact Mass300.01
IUPAC Name1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid
SMILESC=Cc1ccc(OC(F)(C(F)(F)F)S(=O)(=O)O)cc1
InChIInChI=1S/C10H8F4O4S/c1-2-7-3-5-8(6-4-7)18-10(14,9(11,12)13)19(15,16)17/h2-6H,1H2,(H,15,16,17)
InChIKeyRUSHEJABEQUNIA-UHFFFAOYSA-N
XLogP2.78
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid?
The IUPAC name of 1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid (CID 139967692) is 1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for 1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for 1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid is C=Cc1ccc(OC(F)(C(F)(F)F)S(=O)(=O)O)cc1.
What is the InChIKey of 1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid?
The InChIKey is RUSHEJABEQUNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O4S/c1-2-7-3-5-8(6-4-7)18-10(14,9(11,12)13)19(15,16)17/h2-6H,1H2,(H,15,16,17).
What are the key properties of 1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid?
1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 300.23 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenylphenoxy)-1,2,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 139967692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).