4-bromo-2-chloro-2-methylpentane

C6H12BrCl — CID 87084744

IUPAC4-bromo-2-chloro-2-methylpentane
SMILESCC(Br)CC(C)(C)Cl
InChIInChI=1S/C6H12BrCl/c1-5(7)4-6(2,3)8/h5H,4H2,1-3H3
InChIKeySVZCYDCAJFYZNR-UHFFFAOYSA-N
MW199.52 g/mol
LogP3.18
Rot. Bonds2

About 4-bromo-2-chloro-2-methylpentane

4-bromo-2-chloro-2-methylpentane (PubChem CID 87084744) has the molecular formula C6H12BrCl and a molecular weight of 199.52 g/mol. Its IUPAC name is 4-bromo-2-chloro-2-methylpentane.

Molecular Properties

Compound Name4-bromo-2-chloro-2-methylpentane
PubChem CID87084744
Molecular FormulaC6H12BrCl
Molecular Weight199.52 g/mol
Exact Mass197.98
IUPAC Name4-bromo-2-chloro-2-methylpentane
SMILESCC(Br)CC(C)(C)Cl
InChIInChI=1S/C6H12BrCl/c1-5(7)4-6(2,3)8/h5H,4H2,1-3H3
InChIKeySVZCYDCAJFYZNR-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 4-bromo-2-chloro-2-methylpentane?
The IUPAC name of 4-bromo-2-chloro-2-methylpentane (CID 87084744) is 4-bromo-2-chloro-2-methylpentane.
What is the SMILES notation for 4-bromo-2-chloro-2-methylpentane?
The canonical SMILES for 4-bromo-2-chloro-2-methylpentane is CC(Br)CC(C)(C)Cl.
What is the InChIKey of 4-bromo-2-chloro-2-methylpentane?
The InChIKey is SVZCYDCAJFYZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrCl/c1-5(7)4-6(2,3)8/h5H,4H2,1-3H3.
What are the key properties of 4-bromo-2-chloro-2-methylpentane?
4-bromo-2-chloro-2-methylpentane has a molecular weight of 199.52 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-2-methylpentane is sourced from PubChem (CID 87084744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).