5-bromo-1-chloro-2,2-dimethylpentane

C7H14BrCl — CID 57111619

IUPAC5-bromo-1-chloro-2,2-dimethylpentane
SMILESCC(C)(CCl)CCCBr
InChIInChI=1S/C7H14BrCl/c1-7(2,6-9)4-3-5-8/h3-6H2,1-2H3
InChIKeyMWBHORXBUZCEMN-UHFFFAOYSA-N
MW213.55 g/mol
LogP3.43
Rot. Bonds4

About 5-bromo-1-chloro-2,2-dimethylpentane

5-bromo-1-chloro-2,2-dimethylpentane (PubChem CID 57111619) has the molecular formula C7H14BrCl and a molecular weight of 213.55 g/mol. Its IUPAC name is 5-bromo-1-chloro-2,2-dimethylpentane.

Molecular Properties

Compound Name5-bromo-1-chloro-2,2-dimethylpentane
PubChem CID57111619
Molecular FormulaC7H14BrCl
Molecular Weight213.55 g/mol
Exact Mass212.00
IUPAC Name5-bromo-1-chloro-2,2-dimethylpentane
SMILESCC(C)(CCl)CCCBr
InChIInChI=1S/C7H14BrCl/c1-7(2,6-9)4-3-5-8/h3-6H2,1-2H3
InChIKeyMWBHORXBUZCEMN-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.55
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-1-chloro-3,3-dimethylbutane
CID 5169162
4-Bromo-1-chloro-4-methylpentane
CID 11344661
1-Bromo-4-chloro-4-methylpentane
CID 12642542
1-Bromo-2-chloro-3,3-dimethylbutane
CID 13663925
(2R)-1-bromo-2-(chloromethyl)-2-methylbutane
CID 54115600
1-Bromo-3-chloro-2-methylpentane
CID 55250335
1-Bromo-5-chloro-2-methylpentane
CID 57066118
2-Bromo-1-chloro-2-methylpentane
CID 57092910
4-Bromo-1-chloro-2,2-dimethylbutane
CID 57111091
1-Bromo-5-chloro-2,2-dimethylpentane
CID 57193938
5-Bromo-1-chloro-2-methylpentane
CID 57210287
1-Bromo-5-chloro-3,3-dimethylpentane
CID 57231700

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-2,2-dimethylpentane?
The IUPAC name of 5-bromo-1-chloro-2,2-dimethylpentane (CID 57111619) is 5-bromo-1-chloro-2,2-dimethylpentane.
What is the SMILES notation for 5-bromo-1-chloro-2,2-dimethylpentane?
The canonical SMILES for 5-bromo-1-chloro-2,2-dimethylpentane is CC(C)(CCl)CCCBr.
What is the InChIKey of 5-bromo-1-chloro-2,2-dimethylpentane?
The InChIKey is MWBHORXBUZCEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrCl/c1-7(2,6-9)4-3-5-8/h3-6H2,1-2H3.
What are the key properties of 5-bromo-1-chloro-2,2-dimethylpentane?
5-bromo-1-chloro-2,2-dimethylpentane has a molecular weight of 213.55 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-2,2-dimethylpentane is sourced from PubChem (CID 57111619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).