4-ethyl-3-fluoroocta-2,4,6-triene

C10H15F — CID 123568888

IUPAC4-ethyl-3-fluoroocta-2,4,6-triene
SMILESCC=CC=C(CC)C(F)=CC
InChIInChI=1S/C10H15F/c1-4-7-8-9(5-2)10(11)6-3/h4,6-8H,5H2,1-3H3
InChIKeyYKFXRWLCQZRLFR-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.77
Rot. Bonds3

About 4-ethyl-3-fluoroocta-2,4,6-triene

4-ethyl-3-fluoroocta-2,4,6-triene (PubChem CID 123568888) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 4-ethyl-3-fluoroocta-2,4,6-triene.

Molecular Properties

Compound Name4-ethyl-3-fluoroocta-2,4,6-triene
PubChem CID123568888
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name4-ethyl-3-fluoroocta-2,4,6-triene
SMILESCC=CC=C(CC)C(F)=CC
InChIInChI=1S/C10H15F/c1-4-7-8-9(5-2)10(11)6-3/h4,6-8H,5H2,1-3H3
InChIKeyYKFXRWLCQZRLFR-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 177369316
(2E,4Z,6Z)-4-ethyl-N-methylocta-2,4,6-triene-3-sulfonamide
CID 139304214
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CID 164902460
(2E,4E)-5-methyldeca-2,4-diene
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(2E,4E)-5-methyldodeca-2,4-diene
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N-ethyl-N'-[(E,2Z)-2-ethylidene-3-fluoropent-3-enyl]methanediamine
CID 163595306
(2E,4Z)-2-ethyl-1-phenylhexa-2,4-dien-1-imine
CID 89227013
(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene
CID 142114601
(4E,6Z)-4-fluoro-2-methyl-3-methylideneocta-1,4,6-triene
CID 144513621
(5E,7Z)-2-cyclobutylidene-5-ethylnona-5,7-dien-4-one
CID 89267675
ethane;N-[(3E,6E,8Z)-6-ethyl-5-methylidenedeca-1,3,6,8-tetraen-4-yl]formamide
CID 145294280

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-fluoroocta-2,4,6-triene?
The IUPAC name of 4-ethyl-3-fluoroocta-2,4,6-triene (CID 123568888) is 4-ethyl-3-fluoroocta-2,4,6-triene.
What is the SMILES notation for 4-ethyl-3-fluoroocta-2,4,6-triene?
The canonical SMILES for 4-ethyl-3-fluoroocta-2,4,6-triene is CC=CC=C(CC)C(F)=CC.
What is the InChIKey of 4-ethyl-3-fluoroocta-2,4,6-triene?
The InChIKey is YKFXRWLCQZRLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-4-7-8-9(5-2)10(11)6-3/h4,6-8H,5H2,1-3H3.
What are the key properties of 4-ethyl-3-fluoroocta-2,4,6-triene?
4-ethyl-3-fluoroocta-2,4,6-triene has a molecular weight of 154.23 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-fluoroocta-2,4,6-triene is sourced from PubChem (CID 123568888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).