2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride

C6H4Cl3FO2S — CID 90809813

IUPAC2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=C(Cl)C(Cl)=C(F)CC1
InChIInChI=1S/C6H4Cl3FO2S/c7-5-3(10)1-2-4(6(5)8)13(9,11)12/h1-2H2
InChIKeyBCVUAPJBMJTOGM-UHFFFAOYSA-N
MW265.52 g/mol
LogP3.22
Rot. Bonds1

About 2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride

2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride (PubChem CID 90809813) has the molecular formula C6H4Cl3FO2S and a molecular weight of 265.52 g/mol. Its IUPAC name is 2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride
PubChem CID90809813
Molecular FormulaC6H4Cl3FO2S
Molecular Weight265.52 g/mol
Exact Mass263.90
IUPAC Name2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=C(Cl)C(Cl)=C(F)CC1
InChIInChI=1S/C6H4Cl3FO2S/c7-5-3(10)1-2-4(6(5)8)13(9,11)12/h1-2H2
InChIKeyBCVUAPJBMJTOGM-UHFFFAOYSA-N
XLogP3.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.52
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride?
The IUPAC name of 2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride (CID 90809813) is 2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride?
The canonical SMILES for 2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride is O=S(=O)(Cl)C1=C(Cl)C(Cl)=C(F)CC1.
What is the InChIKey of 2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride?
The InChIKey is BCVUAPJBMJTOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl3FO2S/c7-5-3(10)1-2-4(6(5)8)13(9,11)12/h1-2H2.
What are the key properties of 2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride?
2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride has a molecular weight of 265.52 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-fluorocyclohexa-1,3-diene-1-sulfonyl chloride is sourced from PubChem (CID 90809813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).