(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene

C11H13F — CID 143567445

IUPAC(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene
SMILESC=CC(=C)C(C=C)=C(F)/C=C\C
InChIInChI=1S/C11H13F/c1-5-8-11(12)10(7-3)9(4)6-2/h5-8H,2-4H2,1H3/b8-5-,11-10+
InChIKeyQLUUGSXPTWNVIL-VPDIDQSWSA-N
MW164.22 g/mol
LogP3.71
Rot. Bonds4

About (4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene

(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene (PubChem CID 143567445) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is (4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene.

Molecular Properties

Compound Name(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene
PubChem CID143567445
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene
SMILESC=CC(=C)C(C=C)=C(F)/C=C\C
InChIInChI=1S/C11H13F/c1-5-8-11(12)10(7-3)9(4)6-2/h5-8H,2-4H2,1H3/b8-5-,11-10+
InChIKeyQLUUGSXPTWNVIL-VPDIDQSWSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.71
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

(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 145140668
(5Z)-3,4-dimethylidenehepta-1,5-diene;ethane
CID 143166172
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
(2Z,4Z)-2-ethenyl-3-fluorohexa-2,4-dienenitrile
CID 143717901
(2Z,4E)-2,3-difluorohexa-2,4-diene
CID 142531595
(4Z)-1,1-difluoro-3-methylidenehexa-1,4-diene
CID 144675274
but-2-enoic acid;2-methylidenebut-3-enoic acid
CID 174401029
(6Z)-3,5-dimethylideneocta-1,6-diene
CID 142353486
N,2-dimethylidene-N'-[(Z)-prop-1-enyl]but-3-enimidamide
CID 155705669
(2Z,4Z)-3-fluorohexa-2,4-diene-2-thiol
CID 167239113
6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
CID 123639498
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909

Frequently Asked Questions

What is the IUPAC name of (4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene?
The IUPAC name of (4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene (CID 143567445) is (4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene.
What is the SMILES notation for (4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene?
The canonical SMILES for (4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene is C=CC(=C)C(C=C)=C(F)/C=C\C.
What is the InChIKey of (4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene?
The InChIKey is QLUUGSXPTWNVIL-VPDIDQSWSA-N. The full InChI is InChI=1S/C11H13F/c1-5-8-11(12)10(7-3)9(4)6-2/h5-8H,2-4H2,1H3/b8-5-,11-10+.
What are the key properties of (4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene?
(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene has a molecular weight of 164.22 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene is sourced from PubChem (CID 143567445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).