4-bromo-N-ethyl-2-fluoroaniline;hydrochloride

C8H10BrClFN — CID 53216870

IUPAC4-bromo-N-ethyl-2-fluoroaniline;hydrochloride
SMILESCCNc1ccc(Br)cc1F.Cl
InChIInChI=1S/C8H9BrFN.ClH/c1-2-11-8-4-3-6(9)5-7(8)10;/h3-5,11H,2H2,1H3;1H
InChIKeyHIYCNPLPHMNKJJ-UHFFFAOYSA-N
MW254.53 g/mol
LogP3.44
Rot. Bonds2

About 4-bromo-N-ethyl-2-fluoroaniline;hydrochloride

4-bromo-N-ethyl-2-fluoroaniline;hydrochloride (PubChem CID 53216870) has the molecular formula C8H10BrClFN and a molecular weight of 254.53 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2-fluoroaniline;hydrochloride.

Molecular Properties

Compound Name4-bromo-N-ethyl-2-fluoroaniline;hydrochloride
PubChem CID53216870
Molecular FormulaC8H10BrClFN
Molecular Weight254.53 g/mol
Exact Mass252.97
IUPAC Name4-bromo-N-ethyl-2-fluoroaniline;hydrochloride
SMILESCCNc1ccc(Br)cc1F.Cl
InChIInChI=1S/C8H9BrFN.ClH/c1-2-11-8-4-3-6(9)5-7(8)10;/h3-5,11H,2H2,1H3;1H
InChIKeyHIYCNPLPHMNKJJ-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.53
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-ethyl-2-fluoroaniline;hydrochloride?
The IUPAC name of 4-bromo-N-ethyl-2-fluoroaniline;hydrochloride (CID 53216870) is 4-bromo-N-ethyl-2-fluoroaniline;hydrochloride.
What is the SMILES notation for 4-bromo-N-ethyl-2-fluoroaniline;hydrochloride?
The canonical SMILES for 4-bromo-N-ethyl-2-fluoroaniline;hydrochloride is CCNc1ccc(Br)cc1F.Cl.
What is the InChIKey of 4-bromo-N-ethyl-2-fluoroaniline;hydrochloride?
The InChIKey is HIYCNPLPHMNKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN.ClH/c1-2-11-8-4-3-6(9)5-7(8)10;/h3-5,11H,2H2,1H3;1H.
What are the key properties of 4-bromo-N-ethyl-2-fluoroaniline;hydrochloride?
4-bromo-N-ethyl-2-fluoroaniline;hydrochloride has a molecular weight of 254.53 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-ethyl-2-fluoroaniline;hydrochloride is sourced from PubChem (CID 53216870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).