(1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene

C10H15FO2 — CID 143226536

IUPAC(1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene
SMILESC/C=C(/OC)C(C=C/C=C/F)OC
InChIInChI=1S/C10H15FO2/c1-4-9(12-2)10(13-3)7-5-6-8-11/h4-8,10H,1-3H3/b7-5?,8-6+,9-4+
InChIKeyIGQXOBBVBIJWSU-NKTRQZHBSA-N
MW186.23 g/mol
LogP2.59
Rot. Bonds5

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

(1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene (PubChem CID 143226536) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is (1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene.

Molecular Properties

Compound Name(1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene
PubChem CID143226536
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name(1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene
SMILESC/C=C(/OC)C(C=C/C=C/F)OC
InChIInChI=1S/C10H15FO2/c1-4-9(12-2)10(13-3)7-5-6-8-11/h4-8,10H,1-3H3/b7-5?,8-6+,9-4+
InChIKeyIGQXOBBVBIJWSU-NKTRQZHBSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-Fluoro-5,6-dimethoxycyclohexa-1,3-diene
CID 19777442
5-Fluoro-5-(2-methoxyethoxy)cyclohexa-1,3-diene
CID 67174967
3-Ethoxy-1-fluoro-5-methoxycyclohexa-1,3-diene
CID 117790583
(3Z,5Z)-3-fluoro-4-[(E)-pent-3-en-2-yl]oxyhepta-1,3,5-triene
CID 134448842
(3Z,5Z)-3-fluoro-4-methoxyocta-3,5-diene
CID 138465038
(3E)-3-fluoro-2,6-dimethoxyhepta-1,3,6-triene
CID 143235152
5-Fluoro-1,4-dimethoxycyclohepta-1,3,5-triene
CID 143235159
4-Fluoro-2,3-dimethoxycyclohepta-1,3,5-triene
CID 143418883
3-Chloro-1-fluoro-4-(2-methoxyethoxy)cyclohepta-1,3,5-triene
CID 143712763
(2E,4Z)-1-fluoro-3-methoxyhepta-2,4-diene
CID 144180302
(Z)-1-(5-fluorocyclohepta-1,2,4,6-tetraen-1-yl)oxypent-2-en-2-ol
CID 144328445
(3E,5Z)-3-(fluoromethyl)-4-(2-methoxyethoxy)octa-3,5-diene
CID 145498388

Frequently Asked Questions

What is the IUPAC name of (1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene?
The IUPAC name of (1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene (CID 143226536) is (1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene.
What is the SMILES notation for (1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene?
The canonical SMILES for (1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene is C/C=C(/OC)C(C=C/C=C/F)OC.
What is the InChIKey of (1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene?
The InChIKey is IGQXOBBVBIJWSU-NKTRQZHBSA-N. The full InChI is InChI=1S/C10H15FO2/c1-4-9(12-2)10(13-3)7-5-6-8-11/h4-8,10H,1-3H3/b7-5?,8-6+,9-4+.
What are the key properties of (1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene?
(1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene has a molecular weight of 186.23 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,6E)-1-fluoro-5,6-dimethoxyocta-1,3,6-triene is sourced from PubChem (CID 143226536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).