(3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne

C9H11F — CID 143767081

IUPAC(3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne
SMILESC#C/C(C)=C/C=C(/F)CC
InChIInChI=1S/C9H11F/c1-4-8(3)6-7-9(10)5-2/h1,6-7H,5H2,2-3H3/b8-6+,9-7+
InChIKeyLVIRIDCGKQUPJB-CDJQDVQCSA-N
MW138.18 g/mol
LogP2.83
Rot. Bonds2

About (3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne

(3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne (PubChem CID 143767081) has the molecular formula C9H11F and a molecular weight of 138.18 g/mol. Its IUPAC name is (3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne.

Molecular Properties

Compound Name(3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne
PubChem CID143767081
Molecular FormulaC9H11F
Molecular Weight138.18 g/mol
Exact Mass138.08
IUPAC Name(3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne
SMILESC#C/C(C)=C/C=C(/F)CC
InChIInChI=1S/C9H11F/c1-4-8(3)6-7-9(10)5-2/h1,6-7H,5H2,2-3H3/b8-6+,9-7+
InChIKeyLVIRIDCGKQUPJB-CDJQDVQCSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.18
LogP ≤ 52.83
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

3,7-Dimethyl-3,6-octadien-1-yne
CID 53646631
(5E)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne
CID 13757540
(3Z)-3,7-Dimethyl-3,6-octadien-1-yne
CID 14496262
(5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne
CID 134992749
3-Ethylhex-3-en-1-yne
CID 123675218
7-Fluoro-4-methylhepta-1,2,4-triene
CID 57085200
(3Z,5Z)-7-fluoro-4-methylhepta-3,5-dien-1-yne
CID 88254572
(Z)-4-(1-fluoroethenyl)hept-3-en-1-yne
CID 88892954
(3E)-3-fluoro-2,6-dimethylhepta-1,3,5-triene
CID 88918870
(3Z,5E)-5-fluoro-2,3-dimethylhepta-1,3,5-triene
CID 88961713
(3Z,5E)-2-fluoro-3,6-dimethylocta-1,3,5-triene
CID 89047023
(3E,5Z)-4-fluoro-2,5-dimethylhepta-1,3,5-triene
CID 89073212

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne?
The IUPAC name of (3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne (CID 143767081) is (3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne.
What is the SMILES notation for (3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne?
The canonical SMILES for (3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne is C#C/C(C)=C/C=C(/F)CC.
What is the InChIKey of (3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne?
The InChIKey is LVIRIDCGKQUPJB-CDJQDVQCSA-N. The full InChI is InChI=1S/C9H11F/c1-4-8(3)6-7-9(10)5-2/h1,6-7H,5H2,2-3H3/b8-6+,9-7+.
What are the key properties of (3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne?
(3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne has a molecular weight of 138.18 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-fluoro-3-methylocta-3,5-dien-1-yne is sourced from PubChem (CID 143767081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).