4-bromo-2,6-difluoro-N-prop-2-enylaniline

C9H8BrF2N — CID 65469758

IUPAC4-bromo-2,6-difluoro-N-prop-2-enylaniline
SMILESC=CCNc1c(F)cc(Br)cc1F
InChIInChI=1S/C9H8BrF2N/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5,13H,1,3H2
InChIKeyZXHDMCQDGXEQFN-UHFFFAOYSA-N
MW248.07 g/mol
LogP3.33
Rot. Bonds3

About 4-bromo-2,6-difluoro-N-prop-2-enylaniline

4-bromo-2,6-difluoro-N-prop-2-enylaniline (PubChem CID 65469758) has the molecular formula C9H8BrF2N and a molecular weight of 248.07 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-prop-2-enylaniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-prop-2-enylaniline
PubChem CID65469758
Molecular FormulaC9H8BrF2N
Molecular Weight248.07 g/mol
Exact Mass246.98
IUPAC Name4-bromo-2,6-difluoro-N-prop-2-enylaniline
SMILESC=CCNc1c(F)cc(Br)cc1F
InChIInChI=1S/C9H8BrF2N/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5,13H,1,3H2
InChIKeyZXHDMCQDGXEQFN-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-bromo-2,6-difluoro-N-prop-2-enylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2,4-difluoro-N-prop-2-enylaniline
CID 102847120
4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
CID 65468716
N-benzyl-4-bromo-2,6-difluoroaniline
CID 65469115
4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline
CID 65467183
4-bromo-2,6-difluoro-N-(pyrimidin-2-ylmethyl)aniline
CID 65469563
4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline
CID 65468335
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
3,5-difluoro-N-prop-2-enylaniline
CID 62141812
2-(4-bromo-2,6-difluoroanilino)-N'-hydroxyethanimidamide
CID 77071872
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
2-[(4-bromo-2,6-difluoroanilino)methyl]phenol
CID 65468718
4-(4-bromo-2,6-difluoroanilino)butanenitrile
CID 65467644

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-prop-2-enylaniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-prop-2-enylaniline (CID 65469758) is 4-bromo-2,6-difluoro-N-prop-2-enylaniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-prop-2-enylaniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-prop-2-enylaniline is C=CCNc1c(F)cc(Br)cc1F.
What is the InChIKey of 4-bromo-2,6-difluoro-N-prop-2-enylaniline?
The InChIKey is ZXHDMCQDGXEQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N/c1-2-3-13-9-7(11)4-6(10)5-8(9)12/h2,4-5,13H,1,3H2.
What are the key properties of 4-bromo-2,6-difluoro-N-prop-2-enylaniline?
4-bromo-2,6-difluoro-N-prop-2-enylaniline has a molecular weight of 248.07 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-prop-2-enylaniline is sourced from PubChem (CID 65469758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).