3-bromo-7-fluoro-5-methylhepta-1,3,5-triene

C8H10BrF — CID 123150055

IUPAC3-bromo-7-fluoro-5-methylhepta-1,3,5-triene
SMILESC=CC(Br)=CC(C)=CCF
InChIInChI=1S/C8H10BrF/c1-3-8(9)6-7(2)4-5-10/h3-4,6H,1,5H2,2H3
InChIKeyFFNMGDGQASELRZ-UHFFFAOYSA-N
MW205.07 g/mol
LogP3.37
Rot. Bonds3

About 3-bromo-7-fluoro-5-methylhepta-1,3,5-triene

3-bromo-7-fluoro-5-methylhepta-1,3,5-triene (PubChem CID 123150055) has the molecular formula C8H10BrF and a molecular weight of 205.07 g/mol. Its IUPAC name is 3-bromo-7-fluoro-5-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name3-bromo-7-fluoro-5-methylhepta-1,3,5-triene
PubChem CID123150055
Molecular FormulaC8H10BrF
Molecular Weight205.07 g/mol
Exact Mass203.99
IUPAC Name3-bromo-7-fluoro-5-methylhepta-1,3,5-triene
SMILESC=CC(Br)=CC(C)=CCF
InChIInChI=1S/C8H10BrF/c1-3-8(9)6-7(2)4-5-10/h3-4,6H,1,5H2,2H3
InChIKeyFFNMGDGQASELRZ-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-bromo-7-fluoro-5-methylhepta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-fluoro-5-methylhepta-1,3,5-triene?
The IUPAC name of 3-bromo-7-fluoro-5-methylhepta-1,3,5-triene (CID 123150055) is 3-bromo-7-fluoro-5-methylhepta-1,3,5-triene.
What is the SMILES notation for 3-bromo-7-fluoro-5-methylhepta-1,3,5-triene?
The canonical SMILES for 3-bromo-7-fluoro-5-methylhepta-1,3,5-triene is C=CC(Br)=CC(C)=CCF.
What is the InChIKey of 3-bromo-7-fluoro-5-methylhepta-1,3,5-triene?
The InChIKey is FFNMGDGQASELRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF/c1-3-8(9)6-7(2)4-5-10/h3-4,6H,1,5H2,2H3.
What are the key properties of 3-bromo-7-fluoro-5-methylhepta-1,3,5-triene?
3-bromo-7-fluoro-5-methylhepta-1,3,5-triene has a molecular weight of 205.07 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-fluoro-5-methylhepta-1,3,5-triene is sourced from PubChem (CID 123150055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).