(3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene

C10H15F — CID 89047023

IUPAC(3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene
SMILESC=C(F)/C(C)=C\C=C(/C)CC
InChIInChI=1S/C10H15F/c1-5-8(2)6-7-9(3)10(4)11/h6-7H,4-5H2,1-3H3/b8-6+,9-7-
InChIKeyIHACYSADZUKGOP-FFELTBSMSA-N
MW154.23 g/mol
LogP3.77
Rot. Bonds3

About (3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene

(3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene (PubChem CID 89047023) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is (3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene
PubChem CID89047023
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name(3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene
SMILESC=C(F)/C(C)=C\C=C(/C)CC
InChIInChI=1S/C10H15F/c1-5-8(2)6-7-9(3)10(4)11/h6-7H,4-5H2,1-3H3/b8-6+,9-7-
InChIKeyIHACYSADZUKGOP-FFELTBSMSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.77
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

trans-Alloocimene
CID 5368821
beta-Ocimene
CID 18756
beta-Ocimene, (3Z)-
CID 5320250
beta-OCIMENE, (3E)-
CID 5281553
2,6-Dimethylocta-2,4,6-triene
CID 12658
2,4-Hexadiene, 3-methyl-
CID 5367612
1,3-Pentadiene, 2-methyl-
CID 14238
Alloocimene, (4E,6Z)-
CID 5371125
Dimethylhexadiene
CID 6365525
1,3-Cyclopentadiene, 5-(1-methylethylidene)-
CID 137467
Alloocimene, (4Z,6Z)-
CID 5317469
2,4-Dimethylpenta-1,3-diene
CID 66080

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene?
The IUPAC name of (3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene (CID 89047023) is (3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene is C=C(F)/C(C)=C\C=C(/C)CC.
What is the InChIKey of (3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene?
The InChIKey is IHACYSADZUKGOP-FFELTBSMSA-N. The full InChI is InChI=1S/C10H15F/c1-5-8(2)6-7-9(3)10(4)11/h6-7H,4-5H2,1-3H3/b8-6+,9-7-.
What are the key properties of (3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene?
(3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene has a molecular weight of 154.23 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene is sourced from PubChem (CID 89047023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).