5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene

C8H11FO2S — CID 69312973

IUPAC5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene
SMILESCCS(=O)(=O)C1(F)C=CC=CC1
InChIInChI=1S/C8H11FO2S/c1-2-12(10,11)8(9)6-4-3-5-7-8/h3-6H,2,7H2,1H3
InChIKeyFJSLBJFKYQSUMB-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.60
Rot. Bonds2

About 5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene

5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene (PubChem CID 69312973) has the molecular formula C8H11FO2S and a molecular weight of 190.24 g/mol. Its IUPAC name is 5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene
PubChem CID69312973
Molecular FormulaC8H11FO2S
Molecular Weight190.24 g/mol
Exact Mass190.05
IUPAC Name5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene
SMILESCCS(=O)(=O)C1(F)C=CC=CC1
InChIInChI=1S/C8H11FO2S/c1-2-12(10,11)8(9)6-4-3-5-7-8/h3-6H,2,7H2,1H3
InChIKeyFJSLBJFKYQSUMB-UHFFFAOYSA-N
XLogP1.60
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene?
The IUPAC name of 5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene (CID 69312973) is 5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene?
The canonical SMILES for 5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene is CCS(=O)(=O)C1(F)C=CC=CC1.
What is the InChIKey of 5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene?
The InChIKey is FJSLBJFKYQSUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO2S/c1-2-12(10,11)8(9)6-4-3-5-7-8/h3-6H,2,7H2,1H3.
What are the key properties of 5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene?
5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene has a molecular weight of 190.24 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-5-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 69312973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).