1-bromo-2-(chloromethyl)cyclopropane

C4H6BrCl — CID 543062

IUPAC1-bromo-2-(chloromethyl)cyclopropane
SMILESClCC1CC1Br
InChIInChI=1S/C4H6BrCl/c5-4-1-3(4)2-6/h3-4H,1-2H2
InChIKeyZWVGHLJSROOWQH-UHFFFAOYSA-N
MW169.45 g/mol
LogP2.01
Rot. Bonds1

About 1-bromo-2-(chloromethyl)cyclopropane

1-bromo-2-(chloromethyl)cyclopropane (PubChem CID 543062) has the molecular formula C4H6BrCl and a molecular weight of 169.45 g/mol. Its IUPAC name is 1-bromo-2-(chloromethyl)cyclopropane.

Molecular Properties

Compound Name1-bromo-2-(chloromethyl)cyclopropane
PubChem CID543062
Molecular FormulaC4H6BrCl
Molecular Weight169.45 g/mol
Exact Mass167.93
IUPAC Name1-bromo-2-(chloromethyl)cyclopropane
SMILESClCC1CC1Br
InChIInChI=1S/C4H6BrCl/c5-4-1-3(4)2-6/h3-4H,1-2H2
InChIKeyZWVGHLJSROOWQH-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.45
LogP ≤ 52.01
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-2-(chloromethyl)cyclopropane?
The IUPAC name of 1-bromo-2-(chloromethyl)cyclopropane (CID 543062) is 1-bromo-2-(chloromethyl)cyclopropane.
What is the SMILES notation for 1-bromo-2-(chloromethyl)cyclopropane?
The canonical SMILES for 1-bromo-2-(chloromethyl)cyclopropane is ClCC1CC1Br.
What is the InChIKey of 1-bromo-2-(chloromethyl)cyclopropane?
The InChIKey is ZWVGHLJSROOWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6BrCl/c5-4-1-3(4)2-6/h3-4H,1-2H2.
What are the key properties of 1-bromo-2-(chloromethyl)cyclopropane?
1-bromo-2-(chloromethyl)cyclopropane has a molecular weight of 169.45 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(chloromethyl)cyclopropane is sourced from PubChem (CID 543062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).