(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene

C8H11F — CID 142052803

IUPAC(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene
SMILESC=C/C(=C\C(=C)F)CC
InChIInChI=1S/C8H11F/c1-4-8(5-2)6-7(3)9/h4,6H,1,3,5H2,2H3/b8-6+
InChIKeyVTFQDYMVMWMFNP-SOFGYWHQSA-N
MW126.17 g/mol
LogP2.99
Rot. Bonds3

About (3Z)-4-ethyl-2-fluorohexa-1,3,5-triene

(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene (PubChem CID 142052803) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is (3Z)-4-ethyl-2-fluorohexa-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene
PubChem CID142052803
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene
SMILESC=C/C(=C\C(=C)F)CC
InChIInChI=1S/C8H11F/c1-4-8(5-2)6-7(3)9/h4,6H,1,3,5H2,2H3/b8-6+
InChIKeyVTFQDYMVMWMFNP-SOFGYWHQSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.99
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

ethane;(3Z)-3-ethyl-6-methyl-5-methylidenehepta-1,3-diene;methane
CID 144746794
(3Z)-4-ethyl-2-nitrohexa-1,3,5-triene
CID 163953046
(3Z)-3-ethylhexa-1,3,5-triene
CID 22044475
(3Z)-2-fluoro-4-methyl-5-methylidenehepta-1,3-diene
CID 169164324
2-fluorobuta-1,3-diene
CID 551655
ethane;(3Z)-3-ethylhexa-1,3,5-triene;propane
CID 142061349
ethane;(3Z)-3-ethylhexa-1,3,5-triene;methane
CID 143457916
(2E)-2-ethyl-4-fluoropenta-2,4-dienamide
CID 170178694
(3Z,5Z)-3-butan-2-yl-6-ethyl-4-fluoro-2,2-dimethylocta-3,5,7-trienenitrile
CID 166991113
[(1Z)-2-ethylbuta-1,3-dienyl]hydrazine
CID 88987494
3-methylidenepent-1-ene
CID 18850
(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene
CID 146517614

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethyl-2-fluorohexa-1,3,5-triene?
The IUPAC name of (3Z)-4-ethyl-2-fluorohexa-1,3,5-triene (CID 142052803) is (3Z)-4-ethyl-2-fluorohexa-1,3,5-triene.
What is the SMILES notation for (3Z)-4-ethyl-2-fluorohexa-1,3,5-triene?
The canonical SMILES for (3Z)-4-ethyl-2-fluorohexa-1,3,5-triene is C=C/C(=C\C(=C)F)CC.
What is the InChIKey of (3Z)-4-ethyl-2-fluorohexa-1,3,5-triene?
The InChIKey is VTFQDYMVMWMFNP-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H11F/c1-4-8(5-2)6-7(3)9/h4,6H,1,3,5H2,2H3/b8-6+.
What are the key properties of (3Z)-4-ethyl-2-fluorohexa-1,3,5-triene?
(3Z)-4-ethyl-2-fluorohexa-1,3,5-triene has a molecular weight of 126.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethyl-2-fluorohexa-1,3,5-triene is sourced from PubChem (CID 142052803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).