(2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene

C11H15BrF2 — CID 138668482

IUPAC(2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene
SMILESCCC/C=C/C(Br)=C\C=C(/C)C(F)F
InChIInChI=1S/C11H15BrF2/c1-3-4-5-6-10(12)8-7-9(2)11(13)14/h5-8,11H,3-4H2,1-2H3/b6-5+,9-7+,10-8+
InChIKeyCHIPLDCUPULKGK-NRIIQWGUSA-N
MW265.14 g/mol
LogP4.83
Rot. Bonds5

About (2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene

(2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene (PubChem CID 138668482) has the molecular formula C11H15BrF2 and a molecular weight of 265.14 g/mol. Its IUPAC name is (2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene.

Molecular Properties

Compound Name(2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene
PubChem CID138668482
Molecular FormulaC11H15BrF2
Molecular Weight265.14 g/mol
Exact Mass264.03
IUPAC Name(2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene
SMILESCCC/C=C/C(Br)=C\C=C(/C)C(F)F
InChIInChI=1S/C11H15BrF2/c1-3-4-5-6-10(12)8-7-9(2)11(13)14/h5-8,11H,3-4H2,1-2H3/b6-5+,9-7+,10-8+
InChIKeyCHIPLDCUPULKGK-NRIIQWGUSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene?
The IUPAC name of (2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene (CID 138668482) is (2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene.
What is the SMILES notation for (2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene?
The canonical SMILES for (2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene is CCC/C=C/C(Br)=C\C=C(/C)C(F)F.
What is the InChIKey of (2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene?
The InChIKey is CHIPLDCUPULKGK-NRIIQWGUSA-N. The full InChI is InChI=1S/C11H15BrF2/c1-3-4-5-6-10(12)8-7-9(2)11(13)14/h5-8,11H,3-4H2,1-2H3/b6-5+,9-7+,10-8+.
What are the key properties of (2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene?
(2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene has a molecular weight of 265.14 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-5-bromo-1,1-difluoro-2-methyldeca-2,4,6-triene is sourced from PubChem (CID 138668482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).