(6E)-6-fluoro-2-methylocta-1,3,6-triene

C9H13F — CID 143501588

IUPAC(6E)-6-fluoro-2-methylocta-1,3,6-triene
SMILESC=C(C)C=CC/C(F)=C\C
InChIInChI=1S/C9H13F/c1-4-9(10)7-5-6-8(2)3/h4-6H,2,7H2,1,3H3/b6-5?,9-4+
InChIKeyMIPPTDWLXWECGF-WDQBVCECSA-N
MW140.20 g/mol
LogP3.38
Rot. Bonds3

About (6E)-6-fluoro-2-methylocta-1,3,6-triene

(6E)-6-fluoro-2-methylocta-1,3,6-triene (PubChem CID 143501588) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is (6E)-6-fluoro-2-methylocta-1,3,6-triene.

Molecular Properties

Compound Name(6E)-6-fluoro-2-methylocta-1,3,6-triene
PubChem CID143501588
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name(6E)-6-fluoro-2-methylocta-1,3,6-triene
SMILESC=C(C)C=CC/C(F)=C\C
InChIInChI=1S/C9H13F/c1-4-9(10)7-5-6-8(2)3/h4-6H,2,7H2,1,3H3/b6-5?,9-4+
InChIKeyMIPPTDWLXWECGF-WDQBVCECSA-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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Related Compounds

(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
ethane;ethene;(3Z)-2-methyl-6-methylideneocta-1,3-diene
CID 178113371
(3E)-2-methylhepta-1,3-diene
CID 12928201
2-methylhepta-1,3-diene
CID 54310621
(3E,6E)-8-methoxy-2,6-dimethylocta-1,3,6-triene
CID 20643241
ethyl 5-methylhexa-3,5-dienoate
CID 54020800
(3Z,7Z,12Z)-2,14-dimethyl-5,6,10,11-tetramethylidenepentadeca-1,3,7,12,14-pentaene
CID 144536810
(3Z)-2,7-dimethylocta-1,3,6-triene;ethene
CID 143233879
(3E,6E)-8-ethoxy-2,6-dimethylocta-1,3,6-triene
CID 59055880
(3Z)-2,5-dimethylhexa-1,3,5-triene;ethane;propane
CID 144971150
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849

Frequently Asked Questions

What is the IUPAC name of (6E)-6-fluoro-2-methylocta-1,3,6-triene?
The IUPAC name of (6E)-6-fluoro-2-methylocta-1,3,6-triene (CID 143501588) is (6E)-6-fluoro-2-methylocta-1,3,6-triene.
What is the SMILES notation for (6E)-6-fluoro-2-methylocta-1,3,6-triene?
The canonical SMILES for (6E)-6-fluoro-2-methylocta-1,3,6-triene is C=C(C)C=CC/C(F)=C\C.
What is the InChIKey of (6E)-6-fluoro-2-methylocta-1,3,6-triene?
The InChIKey is MIPPTDWLXWECGF-WDQBVCECSA-N. The full InChI is InChI=1S/C9H13F/c1-4-9(10)7-5-6-8(2)3/h4-6H,2,7H2,1,3H3/b6-5?,9-4+.
What are the key properties of (6E)-6-fluoro-2-methylocta-1,3,6-triene?
(6E)-6-fluoro-2-methylocta-1,3,6-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 (6E)-6-fluoro-2-methylocta-1,3,6-triene is sourced from PubChem (CID 143501588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).