1-bromo-3-chloro-2-methylpentane

C6H12BrCl — CID 55250335

IUPAC1-bromo-3-chloro-2-methylpentane
SMILESCCC(Cl)C(C)CBr
InChIInChI=1S/C6H12BrCl/c1-3-6(8)5(2)4-7/h5-6H,3-4H2,1-2H3
InChIKeyUFKWQRXCIWQVID-UHFFFAOYSA-N
MW199.52 g/mol
LogP3.03
Rot. Bonds3

About 1-bromo-3-chloro-2-methylpentane

1-bromo-3-chloro-2-methylpentane (PubChem CID 55250335) has the molecular formula C6H12BrCl and a molecular weight of 199.52 g/mol. Its IUPAC name is 1-bromo-3-chloro-2-methylpentane.

Molecular Properties

Compound Name1-bromo-3-chloro-2-methylpentane
PubChem CID55250335
Molecular FormulaC6H12BrCl
Molecular Weight199.52 g/mol
Exact Mass197.98
IUPAC Name1-bromo-3-chloro-2-methylpentane
SMILESCCC(Cl)C(C)CBr
InChIInChI=1S/C6H12BrCl/c1-3-6(8)5(2)4-7/h5-6H,3-4H2,1-2H3
InChIKeyUFKWQRXCIWQVID-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.52
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-3-chloro-2-methylpentane 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 1-bromo-3-chloro-2-methylpentane?
The IUPAC name of 1-bromo-3-chloro-2-methylpentane (CID 55250335) is 1-bromo-3-chloro-2-methylpentane.
What is the SMILES notation for 1-bromo-3-chloro-2-methylpentane?
The canonical SMILES for 1-bromo-3-chloro-2-methylpentane is CCC(Cl)C(C)CBr.
What is the InChIKey of 1-bromo-3-chloro-2-methylpentane?
The InChIKey is UFKWQRXCIWQVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrCl/c1-3-6(8)5(2)4-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-bromo-3-chloro-2-methylpentane?
1-bromo-3-chloro-2-methylpentane has a molecular weight of 199.52 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-chloro-2-methylpentane is sourced from PubChem (CID 55250335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).