2-bromo-N-ethyl-4,6-difluoroaniline

C8H8BrF2N — CID 43347584

IUPAC2-bromo-N-ethyl-4,6-difluoroaniline
SMILESCCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C8H8BrF2N/c1-2-12-8-6(9)3-5(10)4-7(8)11/h3-4,12H,2H2,1H3
InChIKeyFFMGMDXOUWNWDY-UHFFFAOYSA-N
MW236.06 g/mol
LogP3.16
Rot. Bonds2

About 2-bromo-N-ethyl-4,6-difluoroaniline

2-bromo-N-ethyl-4,6-difluoroaniline (PubChem CID 43347584) has the molecular formula C8H8BrF2N and a molecular weight of 236.06 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4,6-difluoroaniline.

Molecular Properties

Compound Name2-bromo-N-ethyl-4,6-difluoroaniline
PubChem CID43347584
Molecular FormulaC8H8BrF2N
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name2-bromo-N-ethyl-4,6-difluoroaniline
SMILESCCNc1c(F)cc(F)cc1Br
InChIInChI=1S/C8H8BrF2N/c1-2-12-8-6(9)3-5(10)4-7(8)11/h3-4,12H,2H2,1H3
InChIKeyFFMGMDXOUWNWDY-UHFFFAOYSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4,6-difluoroaniline?
The IUPAC name of 2-bromo-N-ethyl-4,6-difluoroaniline (CID 43347584) is 2-bromo-N-ethyl-4,6-difluoroaniline.
What is the SMILES notation for 2-bromo-N-ethyl-4,6-difluoroaniline?
The canonical SMILES for 2-bromo-N-ethyl-4,6-difluoroaniline is CCNc1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-4,6-difluoroaniline?
The InChIKey is FFMGMDXOUWNWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N/c1-2-12-8-6(9)3-5(10)4-7(8)11/h3-4,12H,2H2,1H3.
What are the key properties of 2-bromo-N-ethyl-4,6-difluoroaniline?
2-bromo-N-ethyl-4,6-difluoroaniline has a molecular weight of 236.06 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-4,6-difluoroaniline is sourced from PubChem (CID 43347584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).