2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride

C8H6Cl3FO2S — CID 141429496

IUPAC2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)C=CC1(Cl)C=CC=C(F)C1Cl
InChIInChI=1S/C8H6Cl3FO2S/c9-7-6(12)2-1-3-8(7,10)4-5-15(11,13)14/h1-5,7H
InChIKeyCTEFMUPYHFXWNK-UHFFFAOYSA-N
MW291.56 g/mol
LogP3.08
Rot. Bonds2

About 2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride

2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride (PubChem CID 141429496) has the molecular formula C8H6Cl3FO2S and a molecular weight of 291.56 g/mol. Its IUPAC name is 2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride.

Molecular Properties

Compound Name2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride
PubChem CID141429496
Molecular FormulaC8H6Cl3FO2S
Molecular Weight291.56 g/mol
Exact Mass289.91
IUPAC Name2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride
SMILESO=S(=O)(Cl)C=CC1(Cl)C=CC=C(F)C1Cl
InChIInChI=1S/C8H6Cl3FO2S/c9-7-6(12)2-1-3-8(7,10)4-5-15(11,13)14/h1-5,7H
InChIKeyCTEFMUPYHFXWNK-UHFFFAOYSA-N
XLogP3.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.56
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride 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 2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride?
The IUPAC name of 2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride (CID 141429496) is 2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride.
What is the SMILES notation for 2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride?
The canonical SMILES for 2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride is O=S(=O)(Cl)C=CC1(Cl)C=CC=C(F)C1Cl.
What is the InChIKey of 2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride?
The InChIKey is CTEFMUPYHFXWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl3FO2S/c9-7-6(12)2-1-3-8(7,10)4-5-15(11,13)14/h1-5,7H.
What are the key properties of 2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride?
2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride has a molecular weight of 291.56 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,6-dichloro-5-fluorocyclohexa-2,4-dien-1-yl)ethenesulfonyl chloride is sourced from PubChem (CID 141429496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).