(1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene

C8H9BrClF — CID 89408039

IUPAC(1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene
SMILESCC(=C/C=C/Br)/C(F)=C(\C)Cl
InChIInChI=1S/C8H9BrClF/c1-6(4-3-5-9)8(11)7(2)10/h3-5H,1-2H3/b5-3+,6-4-,8-7-
InChIKeyPPILPWZSQWQOCV-QYYIPACYSA-N
MW239.51 g/mol
LogP4.28
Rot. Bonds2

About (1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene

(1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene (PubChem CID 89408039) has the molecular formula C8H9BrClF and a molecular weight of 239.51 g/mol. Its IUPAC name is (1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene
PubChem CID89408039
Molecular FormulaC8H9BrClF
Molecular Weight239.51 g/mol
Exact Mass237.96
IUPAC Name(1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene
SMILESCC(=C/C=C/Br)/C(F)=C(\C)Cl
InChIInChI=1S/C8H9BrClF/c1-6(4-3-5-9)8(11)7(2)10/h3-5H,1-2H3/b5-3+,6-4-,8-7-
InChIKeyPPILPWZSQWQOCV-QYYIPACYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.51
LogP ≤ 54.28
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,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene (CID 89408039) is (1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene is CC(=C/C=C/Br)/C(F)=C(\C)Cl.
What is the InChIKey of (1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene?
The InChIKey is PPILPWZSQWQOCV-QYYIPACYSA-N. The full InChI is InChI=1S/C8H9BrClF/c1-6(4-3-5-9)8(11)7(2)10/h3-5H,1-2H3/b5-3+,6-4-,8-7-.
What are the key properties of (1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene?
(1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene has a molecular weight of 239.51 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-1-bromo-6-chloro-5-fluoro-4-methylhepta-1,3,5-triene is sourced from PubChem (CID 89408039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).