2,6-dibromo-N-ethyl-4-fluoroaniline

C8H8Br2FN — CID 130650384

IUPAC2,6-dibromo-N-ethyl-4-fluoroaniline
SMILESCCNc1c(Br)cc(F)cc1Br
InChIInChI=1S/C8H8Br2FN/c1-2-12-8-6(9)3-5(11)4-7(8)10/h3-4,12H,2H2,1H3
InChIKeyRXWJUFPQTOVVGM-UHFFFAOYSA-N
MW296.96 g/mol
LogP3.78
Rot. Bonds2

About 2,6-dibromo-N-ethyl-4-fluoroaniline

2,6-dibromo-N-ethyl-4-fluoroaniline (PubChem CID 130650384) has the molecular formula C8H8Br2FN and a molecular weight of 296.96 g/mol. Its IUPAC name is 2,6-dibromo-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound Name2,6-dibromo-N-ethyl-4-fluoroaniline
PubChem CID130650384
Molecular FormulaC8H8Br2FN
Molecular Weight296.96 g/mol
Exact Mass294.90
IUPAC Name2,6-dibromo-N-ethyl-4-fluoroaniline
SMILESCCNc1c(Br)cc(F)cc1Br
InChIInChI=1S/C8H8Br2FN/c1-2-12-8-6(9)3-5(11)4-7(8)10/h3-4,12H,2H2,1H3
InChIKeyRXWJUFPQTOVVGM-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.96
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromo-N-methylaniline
CID 334086
4-bromo-2-fluoro-N-methylaniline
CID 21161229
2,4-Dibromo-N-methylaniline
CID 11129197
N-(2-bromophenyl)-N',N'-diethylpropane-1,3-diamine
CID 44399494
3-Bromo-N-(prop-2-en-1-yl)aniline
CID 24747736
4-bromo-N-ethylaniline
CID 11745656
4-Bromo-N-ethyl-2-fluorobenzenamine
CID 28446637
2-Bromo-N-(1-methylethyl)benzenamine
CID 14924376
3-bromo-N-(propan-2-yl)aniline
CID 23291934
4-bromo-N-(2,2,2-trifluoroethyl)aniline
CID 28581125
3-bromo-N-(2,2,2-trifluoroethyl)aniline
CID 28581215
3-bromo-N-ethylaniline hydrochloride
CID 43810671

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-ethyl-4-fluoroaniline?
The IUPAC name of 2,6-dibromo-N-ethyl-4-fluoroaniline (CID 130650384) is 2,6-dibromo-N-ethyl-4-fluoroaniline.
What is the SMILES notation for 2,6-dibromo-N-ethyl-4-fluoroaniline?
The canonical SMILES for 2,6-dibromo-N-ethyl-4-fluoroaniline is CCNc1c(Br)cc(F)cc1Br.
What is the InChIKey of 2,6-dibromo-N-ethyl-4-fluoroaniline?
The InChIKey is RXWJUFPQTOVVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Br2FN/c1-2-12-8-6(9)3-5(11)4-7(8)10/h3-4,12H,2H2,1H3.
What are the key properties of 2,6-dibromo-N-ethyl-4-fluoroaniline?
2,6-dibromo-N-ethyl-4-fluoroaniline has a molecular weight of 296.96 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 130650384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).