4-bromo-2-chloro-N-ethyl-6-fluoroaniline

C8H8BrClFN — CID 131155872

IUPAC4-bromo-2-chloro-N-ethyl-6-fluoroaniline
SMILESCCNc1c(F)cc(Br)cc1Cl
InChIInChI=1S/C8H8BrClFN/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4,12H,2H2,1H3
InChIKeyBKWUZTUXGSBHOV-UHFFFAOYSA-N
MW252.51 g/mol
LogP3.67
Rot. Bonds2

About 4-bromo-2-chloro-N-ethyl-6-fluoroaniline

4-bromo-2-chloro-N-ethyl-6-fluoroaniline (PubChem CID 131155872) has the molecular formula C8H8BrClFN and a molecular weight of 252.51 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-ethyl-6-fluoroaniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-ethyl-6-fluoroaniline
PubChem CID131155872
Molecular FormulaC8H8BrClFN
Molecular Weight252.51 g/mol
Exact Mass250.95
IUPAC Name4-bromo-2-chloro-N-ethyl-6-fluoroaniline
SMILESCCNc1c(F)cc(Br)cc1Cl
InChIInChI=1S/C8H8BrClFN/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4,12H,2H2,1H3
InChIKeyBKWUZTUXGSBHOV-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.51
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-ethyl-6-fluoroaniline?
The IUPAC name of 4-bromo-2-chloro-N-ethyl-6-fluoroaniline (CID 131155872) is 4-bromo-2-chloro-N-ethyl-6-fluoroaniline.
What is the SMILES notation for 4-bromo-2-chloro-N-ethyl-6-fluoroaniline?
The canonical SMILES for 4-bromo-2-chloro-N-ethyl-6-fluoroaniline is CCNc1c(F)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-ethyl-6-fluoroaniline?
The InChIKey is BKWUZTUXGSBHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFN/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4,12H,2H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-ethyl-6-fluoroaniline?
4-bromo-2-chloro-N-ethyl-6-fluoroaniline has a molecular weight of 252.51 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-ethyl-6-fluoroaniline is sourced from PubChem (CID 131155872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).