2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride

C6H6ClFO2S — CID 166858897

IUPAC2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=C(F)CCC=C1
InChIInChI=1S/C6H6ClFO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h2,4H,1,3H2
InChIKeyRVDUQSUHQBWZQL-UHFFFAOYSA-N
MW196.63 g/mol
LogP2.09
Rot. Bonds1

About 2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride

2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride (PubChem CID 166858897) has the molecular formula C6H6ClFO2S and a molecular weight of 196.63 g/mol. Its IUPAC name is 2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride.

Molecular Properties

Compound Name2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride
PubChem CID166858897
Molecular FormulaC6H6ClFO2S
Molecular Weight196.63 g/mol
Exact Mass195.98
IUPAC Name2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1=C(F)CCC=C1
InChIInChI=1S/C6H6ClFO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h2,4H,1,3H2
InChIKeyRVDUQSUHQBWZQL-UHFFFAOYSA-N
XLogP2.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride?
The IUPAC name of 2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride (CID 166858897) is 2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride.
What is the SMILES notation for 2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride?
The canonical SMILES for 2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride is O=S(=O)(Cl)C1=C(F)CCC=C1.
What is the InChIKey of 2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride?
The InChIKey is RVDUQSUHQBWZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFO2S/c7-11(9,10)6-4-2-1-3-5(6)8/h2,4H,1,3H2.
What are the key properties of 2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride?
2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride has a molecular weight of 196.63 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorocyclohexa-1,5-diene-1-sulfonyl chloride is sourced from PubChem (CID 166858897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).