(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene

C8H11F — CID 89402474

IUPAC(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene
SMILESC/C=C/C=C(C)\C=C/F
InChIInChI=1S/C8H11F/c1-3-4-5-8(2)6-7-9/h3-7H,1-2H3/b4-3+,7-6-,8-5-
InChIKeyPOWBJJQMKRVWIB-IGSBKYQZSA-N
MW126.17 g/mol
LogP2.99
Rot. Bonds2

About (1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene

(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene (PubChem CID 89402474) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is (1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene
PubChem CID89402474
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene
SMILESC/C=C/C=C(C)\C=C/F
InChIInChI=1S/C8H11F/c1-3-4-5-8(2)6-7-9/h3-7H,1-2H3/b4-3+,7-6-,8-5-
InChIKeyPOWBJJQMKRVWIB-IGSBKYQZSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
(2E,4E,6Z)-4-methylocta-2,4,6-trienoyl chloride
CID 87522076
(2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol
CID 143088479
(1E,3Z,5Z)-4-methylhepta-1,3,5-trien-1-amine
CID 88966128
(1Z,3E,5E,7Z,9Z,11E)-7-methyltrideca-1,3,5,7,9,11-hexaen-1-amine
CID 145412761
(2E,4E,6E)-3-methylocta-2,4,6-trienal
CID 24977703
(3Z,5Z,7E)-6-methylnona-1,3,5,7-tetraene
CID 144512529
(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
CID 143911112
ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene
CID 144635902
(4E,6Z)-2,5-dimethylocta-2,4,6-triene
CID 124560377
ethane;(2Z,4E)-hexa-2,4-diene-2-thiol
CID 143240532

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene?
The IUPAC name of (1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene (CID 89402474) is (1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene.
What is the SMILES notation for (1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene?
The canonical SMILES for (1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene is C/C=C/C=C(C)\C=C/F.
What is the InChIKey of (1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene?
The InChIKey is POWBJJQMKRVWIB-IGSBKYQZSA-N. The full InChI is InChI=1S/C8H11F/c1-3-4-5-8(2)6-7-9/h3-7H,1-2H3/b4-3+,7-6-,8-5-.
What are the key properties of (1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene?
(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene has a molecular weight of 126.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 89402474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).