2-bromo-1-(chloromethyl)-1-methylcyclopropane

C5H8BrCl — CID 13452185

IUPAC2-bromo-1-(chloromethyl)-1-methylcyclopropane
SMILESCC1(CCl)CC1Br
InChIInChI=1S/C5H8BrCl/c1-5(3-7)2-4(5)6/h4H,2-3H2,1H3
InChIKeyVCWVXCQZAAVWBO-UHFFFAOYSA-N
MW183.48 g/mol
LogP2.40
Rot. Bonds1

About 2-bromo-1-(chloromethyl)-1-methylcyclopropane

2-bromo-1-(chloromethyl)-1-methylcyclopropane (PubChem CID 13452185) has the molecular formula C5H8BrCl and a molecular weight of 183.48 g/mol. Its IUPAC name is 2-bromo-1-(chloromethyl)-1-methylcyclopropane.

Molecular Properties

Compound Name2-bromo-1-(chloromethyl)-1-methylcyclopropane
PubChem CID13452185
Molecular FormulaC5H8BrCl
Molecular Weight183.48 g/mol
Exact Mass181.95
IUPAC Name2-bromo-1-(chloromethyl)-1-methylcyclopropane
SMILESCC1(CCl)CC1Br
InChIInChI=1S/C5H8BrCl/c1-5(3-7)2-4(5)6/h4H,2-3H2,1H3
InChIKeyVCWVXCQZAAVWBO-UHFFFAOYSA-N
XLogP2.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.48
LogP ≤ 52.40
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-(chloromethyl)-1-methylcyclopropane?
The IUPAC name of 2-bromo-1-(chloromethyl)-1-methylcyclopropane (CID 13452185) is 2-bromo-1-(chloromethyl)-1-methylcyclopropane.
What is the SMILES notation for 2-bromo-1-(chloromethyl)-1-methylcyclopropane?
The canonical SMILES for 2-bromo-1-(chloromethyl)-1-methylcyclopropane is CC1(CCl)CC1Br.
What is the InChIKey of 2-bromo-1-(chloromethyl)-1-methylcyclopropane?
The InChIKey is VCWVXCQZAAVWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrCl/c1-5(3-7)2-4(5)6/h4H,2-3H2,1H3.
What are the key properties of 2-bromo-1-(chloromethyl)-1-methylcyclopropane?
2-bromo-1-(chloromethyl)-1-methylcyclopropane has a molecular weight of 183.48 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(chloromethyl)-1-methylcyclopropane is sourced from PubChem (CID 13452185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).