1-(bromomethyl)-1,2,2-trimethylcyclopropane

C7H13Br — CID 165442434

IUPAC1-(bromomethyl)-1,2,2-trimethylcyclopropane
SMILESCC1(C)CC1(C)CBr
InChIInChI=1S/C7H13Br/c1-6(2)4-7(6,3)5-8/h4-5H2,1-3H3
InChIKeyYBWIOMDFCUYHQZ-UHFFFAOYSA-N
MW177.08 g/mol
LogP2.82
Rot. Bonds1

About 1-(bromomethyl)-1,2,2-trimethylcyclopropane

1-(bromomethyl)-1,2,2-trimethylcyclopropane (PubChem CID 165442434) has the molecular formula C7H13Br and a molecular weight of 177.08 g/mol. Its IUPAC name is 1-(bromomethyl)-1,2,2-trimethylcyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1,2,2-trimethylcyclopropane
PubChem CID165442434
Molecular FormulaC7H13Br
Molecular Weight177.08 g/mol
Exact Mass176.02
IUPAC Name1-(bromomethyl)-1,2,2-trimethylcyclopropane
SMILESCC1(C)CC1(C)CBr
InChIInChI=1S/C7H13Br/c1-6(2)4-7(6,3)5-8/h4-5H2,1-3H3
InChIKeyYBWIOMDFCUYHQZ-UHFFFAOYSA-N
XLogP2.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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 1-(bromomethyl)-1,2,2-trimethylcyclopropane?
The IUPAC name of 1-(bromomethyl)-1,2,2-trimethylcyclopropane (CID 165442434) is 1-(bromomethyl)-1,2,2-trimethylcyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1,2,2-trimethylcyclopropane?
The canonical SMILES for 1-(bromomethyl)-1,2,2-trimethylcyclopropane is CC1(C)CC1(C)CBr.
What is the InChIKey of 1-(bromomethyl)-1,2,2-trimethylcyclopropane?
The InChIKey is YBWIOMDFCUYHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Br/c1-6(2)4-7(6,3)5-8/h4-5H2,1-3H3.
What are the key properties of 1-(bromomethyl)-1,2,2-trimethylcyclopropane?
1-(bromomethyl)-1,2,2-trimethylcyclopropane has a molecular weight of 177.08 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1,2,2-trimethylcyclopropane is sourced from PubChem (CID 165442434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).