2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride

C10H7ClF4O3S — CID 91170423

IUPAC2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride
SMILESO=S(=O)(Cl)C=Cc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H7ClF4O3S/c11-19(16,17)6-5-7-1-3-8(4-2-7)18-10(14,15)9(12)13/h1-6,9H
InChIKeyIRSBUKBNNCZUIS-UHFFFAOYSA-N
MW318.68 g/mol
LogP3.46
Rot. Bonds5

About 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride

2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride (PubChem CID 91170423) has the molecular formula C10H7ClF4O3S and a molecular weight of 318.68 g/mol. Its IUPAC name is 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride.

Molecular Properties

Compound Name2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride
PubChem CID91170423
Molecular FormulaC10H7ClF4O3S
Molecular Weight318.68 g/mol
Exact Mass317.97
IUPAC Name2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride
SMILESO=S(=O)(Cl)C=Cc1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H7ClF4O3S/c11-19(16,17)6-5-7-1-3-8(4-2-7)18-10(14,15)9(12)13/h1-6,9H
InChIKeyIRSBUKBNNCZUIS-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.68
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride?
The IUPAC name of 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride (CID 91170423) is 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride.
What is the SMILES notation for 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride?
The canonical SMILES for 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride is O=S(=O)(Cl)C=Cc1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride?
The InChIKey is IRSBUKBNNCZUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4O3S/c11-19(16,17)6-5-7-1-3-8(4-2-7)18-10(14,15)9(12)13/h1-6,9H.
What are the key properties of 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride?
2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride has a molecular weight of 318.68 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethenesulfonyl chloride is sourced from PubChem (CID 91170423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).