1,7-dibromo-4,4-dichloroheptane

C7H12Br2Cl2 — CID 154156689

IUPAC1,7-dibromo-4,4-dichloroheptane
SMILESClC(Cl)(CCCBr)CCCBr
InChIInChI=1S/C7H12Br2Cl2/c8-5-1-3-7(10,11)4-2-6-9/h1-6H2
InChIKeyYYZZLDXQXXPIDN-UHFFFAOYSA-N
MW326.89 g/mol
LogP4.51
Rot. Bonds6

About 1,7-dibromo-4,4-dichloroheptane

1,7-dibromo-4,4-dichloroheptane (PubChem CID 154156689) has the molecular formula C7H12Br2Cl2 and a molecular weight of 326.89 g/mol. Its IUPAC name is 1,7-dibromo-4,4-dichloroheptane.

Molecular Properties

Compound Name1,7-dibromo-4,4-dichloroheptane
PubChem CID154156689
Molecular FormulaC7H12Br2Cl2
Molecular Weight326.89 g/mol
Exact Mass323.87
IUPAC Name1,7-dibromo-4,4-dichloroheptane
SMILESClC(Cl)(CCCBr)CCCBr
InChIInChI=1S/C7H12Br2Cl2/c8-5-1-3-7(10,11)4-2-6-9/h1-6H2
InChIKeyYYZZLDXQXXPIDN-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,7-dibromo-4,4-dichloroheptane with MolForge

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

Launch Full Analysis

Related Compounds

1,1,1,4-tetrabromobutane
CID 12696456
1,5-dibromo-2,2-dimethylpentane
CID 121375961
1-bromo-4-fluoro-4-methylpentane
CID 19966831
[5-bromo-2-(3-bromopropyl)-2-chloropentyl] dihydrogen phosphate
CID 57168636
5,5-dichlorododecane
CID 90767172
1,40-dibromotetracontane
CID 11614635
4,4-dichlorooctan-1-ol
CID 163217193
1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane
CID 3041329
4-bromobutylalumane
CID 175055594
5-bromo-1,1,1-trifluoropentane chloride
CID 158477486
1-bromo-7,7-dimethyloctane
CID 18985391
4-(3-bromopropyl)hepta-1,6-dien-4-ol
CID 23007811

Frequently Asked Questions

What is the IUPAC name of 1,7-dibromo-4,4-dichloroheptane?
The IUPAC name of 1,7-dibromo-4,4-dichloroheptane (CID 154156689) is 1,7-dibromo-4,4-dichloroheptane.
What is the SMILES notation for 1,7-dibromo-4,4-dichloroheptane?
The canonical SMILES for 1,7-dibromo-4,4-dichloroheptane is ClC(Cl)(CCCBr)CCCBr.
What is the InChIKey of 1,7-dibromo-4,4-dichloroheptane?
The InChIKey is YYZZLDXQXXPIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12Br2Cl2/c8-5-1-3-7(10,11)4-2-6-9/h1-6H2.
What are the key properties of 1,7-dibromo-4,4-dichloroheptane?
1,7-dibromo-4,4-dichloroheptane has a molecular weight of 326.89 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dibromo-4,4-dichloroheptane is sourced from PubChem (CID 154156689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).