2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline

C9H8BrClFN — CID 169475530

IUPAC2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline
SMILESNc1c(F)cc(Cl)cc1C=CCBr
InChIInChI=1S/C9H8BrClFN/c10-3-1-2-6-4-7(11)5-8(12)9(6)13/h1-2,4-5H,3,13H2
InChIKeyVSVQSZMMPPVGQE-UHFFFAOYSA-N
MW264.53 g/mol
LogP3.47
Rot. Bonds2

About 2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline

2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline (PubChem CID 169475530) has the molecular formula C9H8BrClFN and a molecular weight of 264.53 g/mol. Its IUPAC name is 2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline.

Molecular Properties

Compound Name2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline
PubChem CID169475530
Molecular FormulaC9H8BrClFN
Molecular Weight264.53 g/mol
Exact Mass262.95
IUPAC Name2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline
SMILESNc1c(F)cc(Cl)cc1C=CCBr
InChIInChI=1S/C9H8BrClFN/c10-3-1-2-6-4-7(11)5-8(12)9(6)13/h1-2,4-5H,3,13H2
InChIKeyVSVQSZMMPPVGQE-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.53
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline 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

4-(2-amino-5-chloro-3-fluorophenyl)but-3-en-1-ol
CID 170476605
tert-butyl N-[(E)-3-(2-amino-5-chloro-3-fluorophenyl)prop-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 10621037
2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol
CID 170497380
2-(3-bromoprop-1-enyl)-5-chlorobenzaldehyde
CID 169475353
1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
CID 54321123
2-(3-bromoprop-1-enyl)-4,5-difluorophenol
CID 169475416
4-(3-bromoprop-1-enyl)-2,5-difluorobenzaldehyde
CID 169475773
4-amino-3-[(Z)-but-1-enyl]-5-fluorobenzenethiol;ethane
CID 145496534
3-(2-amino-3,5-difluorophenyl)prop-2-ene-1-thiol
CID 169455202
1-(3-bromoprop-1-enyl)-4,5-difluoro-2-methoxybenzene
CID 169475772
3-(2-amino-3,5-difluorophenyl)prop-2-en-1-ol
CID 169453366
4-(2-amino-3,5-difluorophenyl)but-3-en-1-ol
CID 170476606

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline?
The IUPAC name of 2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline (CID 169475530) is 2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline.
What is the SMILES notation for 2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline?
The canonical SMILES for 2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline is Nc1c(F)cc(Cl)cc1C=CCBr.
What is the InChIKey of 2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline?
The InChIKey is VSVQSZMMPPVGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFN/c10-3-1-2-6-4-7(11)5-8(12)9(6)13/h1-2,4-5H,3,13H2.
What are the key properties of 2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline?
2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline has a molecular weight of 264.53 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoprop-1-enyl)-4-chloro-6-fluoroaniline is sourced from PubChem (CID 169475530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).