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

C9H13F — CID 88560705

IUPAC(3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene
SMILESC=C/C=C(F)\C=C(\C)CC
InChIInChI=1S/C9H13F/c1-4-6-9(10)7-8(3)5-2/h4,6-7H,1,5H2,2-3H3/b8-7-,9-6+
InChIKeyKHRZEUCAKXURKA-SOKJVCRVSA-N
MW140.20 g/mol
LogP3.38
Rot. Bonds3

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

(3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene (PubChem CID 88560705) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is (3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene
PubChem CID88560705
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name(3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene
SMILESC=C/C=C(F)\C=C(\C)CC
InChIInChI=1S/C9H13F/c1-4-6-9(10)7-8(3)5-2/h4,6-7H,1,5H2,2-3H3/b8-7-,9-6+
InChIKeyKHRZEUCAKXURKA-SOKJVCRVSA-N
XLogP3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.38
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 (3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene?
The IUPAC name of (3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene (CID 88560705) is (3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene is C=C/C=C(F)\C=C(\C)CC.
What is the InChIKey of (3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene?
The InChIKey is KHRZEUCAKXURKA-SOKJVCRVSA-N. The full InChI is InChI=1S/C9H13F/c1-4-6-9(10)7-8(3)5-2/h4,6-7H,1,5H2,2-3H3/b8-7-,9-6+.
What are the key properties of (3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene?
(3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene has a molecular weight of 140.20 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene is sourced from PubChem (CID 88560705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).