1-bromo-1-chloro-2,2-dimethylpropane

C5H10BrCl — CID 54287707

IUPAC1-bromo-1-chloro-2,2-dimethylpropane
SMILESCC(C)(C)C(Cl)Br
InChIInChI=1S/C5H10BrCl/c1-5(2,3)4(6)7/h4H,1-3H3
InChIKeyMTFUASNUZGIBNP-UHFFFAOYSA-N
MW185.49 g/mol
LogP2.99
Rot. Bonds

About 1-bromo-1-chloro-2,2-dimethylpropane

1-bromo-1-chloro-2,2-dimethylpropane (PubChem CID 54287707) has the molecular formula C5H10BrCl and a molecular weight of 185.49 g/mol. Its IUPAC name is 1-bromo-1-chloro-2,2-dimethylpropane.

Molecular Properties

Compound Name1-bromo-1-chloro-2,2-dimethylpropane
PubChem CID54287707
Molecular FormulaC5H10BrCl
Molecular Weight185.49 g/mol
Exact Mass183.97
IUPAC Name1-bromo-1-chloro-2,2-dimethylpropane
SMILESCC(C)(C)C(Cl)Br
InChIInChI=1S/C5H10BrCl/c1-5(2,3)4(6)7/h4H,1-3H3
InChIKeyMTFUASNUZGIBNP-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.49
LogP ≤ 52.99
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 1-bromo-1-chloro-2,2-dimethylpropane?
The IUPAC name of 1-bromo-1-chloro-2,2-dimethylpropane (CID 54287707) is 1-bromo-1-chloro-2,2-dimethylpropane.
What is the SMILES notation for 1-bromo-1-chloro-2,2-dimethylpropane?
The canonical SMILES for 1-bromo-1-chloro-2,2-dimethylpropane is CC(C)(C)C(Cl)Br.
What is the InChIKey of 1-bromo-1-chloro-2,2-dimethylpropane?
The InChIKey is MTFUASNUZGIBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrCl/c1-5(2,3)4(6)7/h4H,1-3H3.
What are the key properties of 1-bromo-1-chloro-2,2-dimethylpropane?
1-bromo-1-chloro-2,2-dimethylpropane has a molecular weight of 185.49 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-chloro-2,2-dimethylpropane is sourced from PubChem (CID 54287707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).