2-(2-bromoethyl)-1,1-dimethylcyclopropane

C7H13Br — CID 138039653

IUPAC2-(2-bromoethyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1CCBr
InChIInChI=1S/C7H13Br/c1-7(2)5-6(7)3-4-8/h6H,3-5H2,1-2H3
InChIKeyLXAZXHGXMGGAAA-UHFFFAOYSA-N
MW177.08 g/mol
LogP2.82
Rot. Bonds2

About 2-(2-bromoethyl)-1,1-dimethylcyclopropane

2-(2-bromoethyl)-1,1-dimethylcyclopropane (PubChem CID 138039653) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1,1-dimethylcyclopropane.

Molecular Properties

Compound Name2-(2-bromoethyl)-1,1-dimethylcyclopropane
PubChem CID138039653
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name2-(2-bromoethyl)-1,1-dimethylcyclopropane
SMILESCC1(C)CC1CCBr
InChIInChI=1S/C7H13Br/c1-7(2)5-6(7)3-4-8/h6H,3-5H2,1-2H3
InChIKeyLXAZXHGXMGGAAA-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.08
LogP ≤ 52.82
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-(2-bromoethyl)-1,1-dimethylcyclopropane?
The IUPAC name of 2-(2-bromoethyl)-1,1-dimethylcyclopropane (CID 138039653) is 2-(2-bromoethyl)-1,1-dimethylcyclopropane.
What is the SMILES notation for 2-(2-bromoethyl)-1,1-dimethylcyclopropane?
The canonical SMILES for 2-(2-bromoethyl)-1,1-dimethylcyclopropane is CC1(C)CC1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-1,1-dimethylcyclopropane?
The InChIKey is LXAZXHGXMGGAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br/c1-7(2)5-6(7)3-4-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-(2-bromoethyl)-1,1-dimethylcyclopropane?
2-(2-bromoethyl)-1,1-dimethylcyclopropane has a molecular weight of 177.08 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1,1-dimethylcyclopropane is sourced from PubChem (CID 138039653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).