2,2-dibromoethyl N,N-dimethylcarbamate

C5H9Br2NO2 — CID 126673127

IUPAC2,2-dibromoethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC(Br)Br
InChIInChI=1S/C5H9Br2NO2/c1-8(2)5(9)10-3-4(6)7/h4H,3H2,1-2H3
InChIKeyLJWBNKBBMJFUHB-UHFFFAOYSA-N
MW274.94 g/mol
LogP1.80
Rot. Bonds2

About 2,2-dibromoethyl N,N-dimethylcarbamate

2,2-dibromoethyl N,N-dimethylcarbamate (PubChem CID 126673127) has the molecular formula C5H9Br2NO2 and a molecular weight of 274.94 g/mol. Its IUPAC name is 2,2-dibromoethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2,2-dibromoethyl N,N-dimethylcarbamate
PubChem CID126673127
Molecular FormulaC5H9Br2NO2
Molecular Weight274.94 g/mol
Exact Mass272.90
IUPAC Name2,2-dibromoethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCC(Br)Br
InChIInChI=1S/C5H9Br2NO2/c1-8(2)5(9)10-3-4(6)7/h4H,3H2,1-2H3
InChIKeyLJWBNKBBMJFUHB-UHFFFAOYSA-N
XLogP1.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.94
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-dibromoethyl N,N-dimethylcarbamate?
The IUPAC name of 2,2-dibromoethyl N,N-dimethylcarbamate (CID 126673127) is 2,2-dibromoethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2,2-dibromoethyl N,N-dimethylcarbamate?
The canonical SMILES for 2,2-dibromoethyl N,N-dimethylcarbamate is CN(C)C(=O)OCC(Br)Br.
What is the InChIKey of 2,2-dibromoethyl N,N-dimethylcarbamate?
The InChIKey is LJWBNKBBMJFUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Br2NO2/c1-8(2)5(9)10-3-4(6)7/h4H,3H2,1-2H3.
What are the key properties of 2,2-dibromoethyl N,N-dimethylcarbamate?
2,2-dibromoethyl N,N-dimethylcarbamate has a molecular weight of 274.94 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dibromoethyl N,N-dimethylcarbamate is sourced from PubChem (CID 126673127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).