(4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne

C9H11F — CID 144950501

IUPAC(4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne
SMILESC#CC/C=C(C)\C=C/CF
InChIInChI=1S/C9H11F/c1-3-4-6-9(2)7-5-8-10/h1,5-7H,4,8H2,2H3/b7-5-,9-6-
InChIKeyUZYSTUXVBMEJHX-BSIYMUDXSA-N
MW138.19 g/mol
LogP2.48
Rot. Bonds3

About (4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne

(4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne (PubChem CID 144950501) has the molecular formula C9H11F and a molecular weight of 138.19 g/mol. Its IUPAC name is (4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne.

Molecular Properties

Compound Name(4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne
PubChem CID144950501
Molecular FormulaC9H11F
Molecular Weight138.19 g/mol
Exact Mass138.08
IUPAC Name(4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne
SMILESC#CC/C=C(C)\C=C/CF
InChIInChI=1S/C9H11F/c1-3-4-6-9(2)7-5-8-10/h1,5-7H,4,8H2,2H3/b7-5-,9-6-
InChIKeyUZYSTUXVBMEJHX-BSIYMUDXSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(5E)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne
CID 13757540
(5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne
CID 134992749
2-Methylhexa-1,3-dien-5-yne
CID 91427979
(3Z,5Z)-5-fluoro-4,6-dimethylocta-1,3,5-triene
CID 88067904
(3Z,5E)-5-fluoro-4-methylhepta-1,3,5-triene
CID 88236015
(4Z,6Z)-3-fluoro-6-methylocta-1,2,4,6-tetraene
CID 88236706
(3Z,5Z)-7-fluoro-4-methylhepta-3,5-dien-1-yne
CID 88254572
(3E,5Z)-3-fluoro-2-methylhepta-1,3,5-triene
CID 88274156
(3E,5Z)-4-fluoro-6-methylocta-1,3,5-triene
CID 88560705
(3Z,5E)-5-fluoro-2-methylhepta-1,3,5-triene
CID 88573894
(3Z,5E)-6-fluoro-5-methylhepta-1,3,5-triene
CID 88594562
(1E,3Z,5Z)-1-fluoro-5-methylhepta-1,3,5-triene
CID 88860448

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne?
The IUPAC name of (4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne (CID 144950501) is (4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne.
What is the SMILES notation for (4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne?
The canonical SMILES for (4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne is C#CC/C=C(C)\C=C/CF.
What is the InChIKey of (4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne?
The InChIKey is UZYSTUXVBMEJHX-BSIYMUDXSA-N. The full InChI is InChI=1S/C9H11F/c1-3-4-6-9(2)7-5-8-10/h1,5-7H,4,8H2,2H3/b7-5-,9-6-.
What are the key properties of (4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne?
(4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne has a molecular weight of 138.19 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-8-fluoro-5-methylocta-4,6-dien-1-yne is sourced from PubChem (CID 144950501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).