(2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene

C11H17FO2S — CID 144983800

IUPAC(2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene
SMILESC/C=C\C=C(F)/C(C)=C/CS(=O)(=O)CC
InChIInChI=1S/C11H17FO2S/c1-4-6-7-11(12)10(3)8-9-15(13,14)5-2/h4,6-8H,5,9H2,1-3H3/b6-4-,10-8+,11-7+
InChIKeyUXCWHISUHGMJLI-DCINQGNBSA-N
MW232.32 g/mol
LogP2.80
Rot. Bonds5

About (2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene

(2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene (PubChem CID 144983800) has the molecular formula C11H17FO2S and a molecular weight of 232.32 g/mol. Its IUPAC name is (2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene
PubChem CID144983800
Molecular FormulaC11H17FO2S
Molecular Weight232.32 g/mol
Exact Mass232.09
IUPAC Name(2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene
SMILESC/C=C\C=C(F)/C(C)=C/CS(=O)(=O)CC
InChIInChI=1S/C11H17FO2S/c1-4-6-7-11(12)10(3)8-9-15(13,14)5-2/h4,6-8H,5,9H2,1-3H3/b6-4-,10-8+,11-7+
InChIKeyUXCWHISUHGMJLI-DCINQGNBSA-N
XLogP2.80
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene with MolForge

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Related Compounds

(E,4S)-4-tert-butylsulfonylpent-2-ene
CID 138969022
5-Ethylsulfonyl-5-fluorocyclohexa-1,3-diene
CID 69312973
5-Fluoro-5-propan-2-ylsulfonylcyclohexa-1,3-diene
CID 69315024
2-Methylsulfonyl-4-(trifluoromethyl)cyclohepta-1,3,5-triene
CID 90191915
3-Fluoro-7,7-dimethyl-2-methylsulfonylcyclohepta-1,3,5-triene
CID 90863000
1-Fluoro-6-methyl-3-methylsulfonylocta-2,4-diene
CID 91149935
6-Ethyl-7-fluoro-3-methylsulfonylocta-1,2,4,6-tetraene
CID 91157263
9-Butyl-10-fluoro-3-methylsulfonylcyclodeca-1,2,4,6,9-pentaene
CID 91386725
6-(Ethylsulfonylmethyl)-2-fluorocyclohexa-1,3-diene
CID 91585917
5-Methylsulfonyl-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 91611796
(3E,5Z)-2-fluoro-4-methylsulfonylocta-1,3,5-triene
CID 121299094
5-Ethyl-4-fluoro-2-methyl-7-methylsulfonylhepta-2,4-diene
CID 123598096

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene?
The IUPAC name of (2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene (CID 144983800) is (2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene.
What is the SMILES notation for (2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene?
The canonical SMILES for (2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene is C/C=C\C=C(F)/C(C)=C/CS(=O)(=O)CC.
What is the InChIKey of (2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene?
The InChIKey is UXCWHISUHGMJLI-DCINQGNBSA-N. The full InChI is InChI=1S/C11H17FO2S/c1-4-6-7-11(12)10(3)8-9-15(13,14)5-2/h4,6-8H,5,9H2,1-3H3/b6-4-,10-8+,11-7+.
What are the key properties of (2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene?
(2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene has a molecular weight of 232.32 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6Z)-1-ethylsulfonyl-4-fluoro-3-methylocta-2,4,6-triene is sourced from PubChem (CID 144983800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).