methyl N,N-bis(2-bromoethyl)carbamate

C6H11Br2NO2 — CID 15633168

IUPACmethyl N,N-bis(2-bromoethyl)carbamate
SMILESCOC(=O)N(CCBr)CCBr
InChIInChI=1S/C6H11Br2NO2/c1-11-6(10)9(4-2-7)5-3-8/h2-5H2,1H3
InChIKeyFCUNOSMAYMFODO-UHFFFAOYSA-N
MW288.97 g/mol
LogP1.84
Rot. Bonds4

About methyl N,N-bis(2-bromoethyl)carbamate

methyl N,N-bis(2-bromoethyl)carbamate (PubChem CID 15633168) has the molecular formula C6H11Br2NO2 and a molecular weight of 288.97 g/mol. Its IUPAC name is methyl N,N-bis(2-bromoethyl)carbamate.

Molecular Properties

Compound Namemethyl N,N-bis(2-bromoethyl)carbamate
PubChem CID15633168
Molecular FormulaC6H11Br2NO2
Molecular Weight288.97 g/mol
Exact Mass286.92
IUPAC Namemethyl N,N-bis(2-bromoethyl)carbamate
SMILESCOC(=O)N(CCBr)CCBr
InChIInChI=1S/C6H11Br2NO2/c1-11-6(10)9(4-2-7)5-3-8/h2-5H2,1H3
InChIKeyFCUNOSMAYMFODO-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.97
LogP ≤ 51.84
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 methyl N,N-bis(2-bromoethyl)carbamate?
The IUPAC name of methyl N,N-bis(2-bromoethyl)carbamate (CID 15633168) is methyl N,N-bis(2-bromoethyl)carbamate.
What is the SMILES notation for methyl N,N-bis(2-bromoethyl)carbamate?
The canonical SMILES for methyl N,N-bis(2-bromoethyl)carbamate is COC(=O)N(CCBr)CCBr.
What is the InChIKey of methyl N,N-bis(2-bromoethyl)carbamate?
The InChIKey is FCUNOSMAYMFODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br2NO2/c1-11-6(10)9(4-2-7)5-3-8/h2-5H2,1H3.
What are the key properties of methyl N,N-bis(2-bromoethyl)carbamate?
methyl N,N-bis(2-bromoethyl)carbamate has a molecular weight of 288.97 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-bis(2-bromoethyl)carbamate is sourced from PubChem (CID 15633168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).