2-bromo-1-chloro-2-methylpentane

C6H12BrCl — CID 57092910

IUPAC2-bromo-1-chloro-2-methylpentane
SMILESCCCC(C)(Br)CCl
InChIInChI=1S/C6H12BrCl/c1-3-4-6(2,7)5-8/h3-5H2,1-2H3
InChIKeyWCYRGYFWAMWFES-UHFFFAOYSA-N
MW199.52 g/mol
LogP3.18
Rot. Bonds3

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

2-bromo-1-chloro-2-methylpentane (PubChem CID 57092910) has the molecular formula C6H12BrCl and a molecular weight of 199.52 g/mol. Its IUPAC name is 2-bromo-1-chloro-2-methylpentane.

Molecular Properties

Compound Name2-bromo-1-chloro-2-methylpentane
PubChem CID57092910
Molecular FormulaC6H12BrCl
Molecular Weight199.52 g/mol
Exact Mass197.98
IUPAC Name2-bromo-1-chloro-2-methylpentane
SMILESCCCC(C)(Br)CCl
InChIInChI=1S/C6H12BrCl/c1-3-4-6(2,7)5-8/h3-5H2,1-2H3
InChIKeyWCYRGYFWAMWFES-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-chloro-2-methylpentane?
The IUPAC name of 2-bromo-1-chloro-2-methylpentane (CID 57092910) is 2-bromo-1-chloro-2-methylpentane.
What is the SMILES notation for 2-bromo-1-chloro-2-methylpentane?
The canonical SMILES for 2-bromo-1-chloro-2-methylpentane is CCCC(C)(Br)CCl.
What is the InChIKey of 2-bromo-1-chloro-2-methylpentane?
The InChIKey is WCYRGYFWAMWFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrCl/c1-3-4-6(2,7)5-8/h3-5H2,1-2H3.
What are the key properties of 2-bromo-1-chloro-2-methylpentane?
2-bromo-1-chloro-2-methylpentane has a molecular weight of 199.52 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-chloro-2-methylpentane is sourced from PubChem (CID 57092910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).