(3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene

C8H11F — CID 89180612

IUPAC(3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C=C(/C)F
InChIInChI=1S/C8H11F/c1-4-7(2)5-6-8(3)9/h4-6H,1H2,2-3H3/b7-5-,8-6+
InChIKeyPXSAHOWSYPXLBM-CGXWXWIYSA-N
MW126.17 g/mol
LogP2.99
Rot. Bonds2

About (3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene

(3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene (PubChem CID 89180612) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is (3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene
PubChem CID89180612
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name(3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene
SMILESC=C/C(C)=C\C=C(/C)F
InChIInChI=1S/C8H11F/c1-4-7(2)5-6-8(3)9/h4-6H,1H2,2-3H3/b7-5-,8-6+
InChIKeyPXSAHOWSYPXLBM-CGXWXWIYSA-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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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene (CID 89180612) is (3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene is C=C/C(C)=C\C=C(/C)F.
What is the InChIKey of (3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene?
The InChIKey is PXSAHOWSYPXLBM-CGXWXWIYSA-N. The full InChI is InChI=1S/C8H11F/c1-4-7(2)5-6-8(3)9/h4-6H,1H2,2-3H3/b7-5-,8-6+.
What are the key properties of (3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene?
(3Z,5E)-6-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 (3Z,5E)-6-fluoro-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 89180612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).