3-bromo-N-ethyl-4-fluoroaniline

C8H9BrFN — CID 75525088

IUPAC3-bromo-N-ethyl-4-fluoroaniline
SMILESCCNc1ccc(F)c(Br)c1
InChIInChI=1S/C8H9BrFN/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,11H,2H2,1H3
InChIKeyIYDHUGWDGYXRPZ-UHFFFAOYSA-N
MW218.07 g/mol
LogP3.02
Rot. Bonds2

About 3-bromo-N-ethyl-4-fluoroaniline

3-bromo-N-ethyl-4-fluoroaniline (PubChem CID 75525088) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-fluoroaniline.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-fluoroaniline
PubChem CID75525088
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name3-bromo-N-ethyl-4-fluoroaniline
SMILESCCNc1ccc(F)c(Br)c1
InChIInChI=1S/C8H9BrFN/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,11H,2H2,1H3
InChIKeyIYDHUGWDGYXRPZ-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Ethylaniline
CID 7670
N-Butylaniline
CID 14310
Benzenamine, 4-bromo-N,N-diethyl-
CID 16328
4-Fluoro-N-methylaniline
CID 68024
N-(3-Bromophenyl)acetamide
CID 12123
Benzenamine, N-propyl-
CID 12153
2-Bromo-N-methylaniline
CID 334086
4-fluoro-N-propylaniline
CID 22669157
3-Bromo-N,N-dimethylaniline
CID 140102
Benzenamine, 4-fluoro-N-(1-methylethyl)-
CID 154403
Benzenamine, 4-bromo-N-methyl-
CID 2757052
3-fluoro-N-methylaniline
CID 2759011

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-fluoroaniline?
The IUPAC name of 3-bromo-N-ethyl-4-fluoroaniline (CID 75525088) is 3-bromo-N-ethyl-4-fluoroaniline.
What is the SMILES notation for 3-bromo-N-ethyl-4-fluoroaniline?
The canonical SMILES for 3-bromo-N-ethyl-4-fluoroaniline is CCNc1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-ethyl-4-fluoroaniline?
The InChIKey is IYDHUGWDGYXRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c1-2-11-6-3-4-8(10)7(9)5-6/h3-5,11H,2H2,1H3.
What are the key properties of 3-bromo-N-ethyl-4-fluoroaniline?
3-bromo-N-ethyl-4-fluoroaniline has a molecular weight of 218.07 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-fluoroaniline is sourced from PubChem (CID 75525088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).