ethyl N-(4-bromo-2-fluorophenyl)carbamate

C9H9BrFNO2 — CID 2166334

IUPACethyl N-(4-bromo-2-fluorophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO2/c1-2-14-9(13)12-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyWBIHDRMZPHNYLQ-UHFFFAOYSA-N
MW262.08 g/mol
LogP3.16
Rot. Bonds2

About ethyl N-(4-bromo-2-fluorophenyl)carbamate

ethyl N-(4-bromo-2-fluorophenyl)carbamate (PubChem CID 2166334) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is ethyl N-(4-bromo-2-fluorophenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-bromo-2-fluorophenyl)carbamate
PubChem CID2166334
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Nameethyl N-(4-bromo-2-fluorophenyl)carbamate
SMILESCCOC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO2/c1-2-14-9(13)12-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3,(H,12,13)
InChIKeyWBIHDRMZPHNYLQ-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-bromo-2-fluorophenyl)carbamate?
The IUPAC name of ethyl N-(4-bromo-2-fluorophenyl)carbamate (CID 2166334) is ethyl N-(4-bromo-2-fluorophenyl)carbamate.
What is the SMILES notation for ethyl N-(4-bromo-2-fluorophenyl)carbamate?
The canonical SMILES for ethyl N-(4-bromo-2-fluorophenyl)carbamate is CCOC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of ethyl N-(4-bromo-2-fluorophenyl)carbamate?
The InChIKey is WBIHDRMZPHNYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-2-14-9(13)12-8-4-3-6(10)5-7(8)11/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of ethyl N-(4-bromo-2-fluorophenyl)carbamate?
ethyl N-(4-bromo-2-fluorophenyl)carbamate has a molecular weight of 262.08 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-bromo-2-fluorophenyl)carbamate is sourced from PubChem (CID 2166334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).