(1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene

C8H10BrF — CID 139418379

IUPAC(1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene
SMILESCC(C)=C(F)/C=C\C=C\Br
InChIInChI=1S/C8H10BrF/c1-7(2)8(10)5-3-4-6-9/h3-6H,1-2H3/b5-3-,6-4+
InChIKeyLVPOFIFQJDWUEO-CIIODKQPSA-N
MW205.07 g/mol
LogP3.71
Rot. Bonds2

About (1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene

(1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene (PubChem CID 139418379) has the molecular formula C8H10BrF and a molecular weight of 205.07 g/mol. Its IUPAC name is (1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene
PubChem CID139418379
Molecular FormulaC8H10BrF
Molecular Weight205.07 g/mol
Exact Mass203.99
IUPAC Name(1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene
SMILESCC(C)=C(F)/C=C\C=C\Br
InChIInChI=1S/C8H10BrF/c1-7(2)8(10)5-3-4-6-9/h3-6H,1-2H3/b5-3-,6-4+
InChIKeyLVPOFIFQJDWUEO-CIIODKQPSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 53.71
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 (1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene?
The IUPAC name of (1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene (CID 139418379) is (1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene.
What is the SMILES notation for (1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene?
The canonical SMILES for (1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene is CC(C)=C(F)/C=C\C=C\Br.
What is the InChIKey of (1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene?
The InChIKey is LVPOFIFQJDWUEO-CIIODKQPSA-N. The full InChI is InChI=1S/C8H10BrF/c1-7(2)8(10)5-3-4-6-9/h3-6H,1-2H3/b5-3-,6-4+.
What are the key properties of (1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene?
(1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene has a molecular weight of 205.07 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-bromo-5-fluoro-6-methylhepta-1,3,5-triene is sourced from PubChem (CID 139418379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).