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

C8H8BrF2N — CID 65469677

IUPAC4-bromo-N-ethyl-2,6-difluoroaniline
SMILESCCNc1c(F)cc(Br)cc1F
InChIInChI=1S/C8H8BrF2N/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4,12H,2H2,1H3
InChIKeyFXDIRXUZXLJAHV-UHFFFAOYSA-N
MW236.06 g/mol
LogP3.16
Rot. Bonds2

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

4-bromo-N-ethyl-2,6-difluoroaniline (PubChem CID 65469677) has the molecular formula C8H8BrF2N and a molecular weight of 236.06 g/mol. Its IUPAC name is 4-bromo-N-ethyl-2,6-difluoroaniline.

Molecular Properties

Compound Name4-bromo-N-ethyl-2,6-difluoroaniline
PubChem CID65469677
Molecular FormulaC8H8BrF2N
Molecular Weight236.06 g/mol
Exact Mass234.98
IUPAC Name4-bromo-N-ethyl-2,6-difluoroaniline
SMILESCCNc1c(F)cc(Br)cc1F
InChIInChI=1S/C8H8BrF2N/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4,12H,2H2,1H3
InChIKeyFXDIRXUZXLJAHV-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 4-bromo-N-ethyl-2,6-difluoroaniline?
The IUPAC name of 4-bromo-N-ethyl-2,6-difluoroaniline (CID 65469677) is 4-bromo-N-ethyl-2,6-difluoroaniline.
What is the SMILES notation for 4-bromo-N-ethyl-2,6-difluoroaniline?
The canonical SMILES for 4-bromo-N-ethyl-2,6-difluoroaniline is CCNc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-N-ethyl-2,6-difluoroaniline?
The InChIKey is FXDIRXUZXLJAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N/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-N-ethyl-2,6-difluoroaniline?
4-bromo-N-ethyl-2,6-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 4-bromo-N-ethyl-2,6-difluoroaniline is sourced from PubChem (CID 65469677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).