N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline

C13H15BrFN — CID 101174723

IUPACN-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline
SMILESC=C(Br)CN(C/C=C/C)c1ccccc1F
InChIInChI=1S/C13H15BrFN/c1-3-4-9-16(10-11(2)14)13-8-6-5-7-12(13)15/h3-8H,2,9-10H2,1H3/b4-3+
InChIKeyGLFWUHLYVDVPSF-ONEGZZNKSA-N
MW284.17 g/mol
LogP4.12
Rot. Bonds5

About N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline

N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline (PubChem CID 101174723) has the molecular formula C13H15BrFN and a molecular weight of 284.17 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline
PubChem CID101174723
Molecular FormulaC13H15BrFN
Molecular Weight284.17 g/mol
Exact Mass283.04
IUPAC NameN-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline
SMILESC=C(Br)CN(C/C=C/C)c1ccccc1F
InChIInChI=1S/C13H15BrFN/c1-3-4-9-16(10-11(2)14)13-8-6-5-7-12(13)15/h3-8H,2,9-10H2,1H3/b4-3+
InChIKeyGLFWUHLYVDVPSF-ONEGZZNKSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline?
The IUPAC name of N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline (CID 101174723) is N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline is C=C(Br)CN(C/C=C/C)c1ccccc1F.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline?
The InChIKey is GLFWUHLYVDVPSF-ONEGZZNKSA-N. The full InChI is InChI=1S/C13H15BrFN/c1-3-4-9-16(10-11(2)14)13-8-6-5-7-12(13)15/h3-8H,2,9-10H2,1H3/b4-3+.
What are the key properties of N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline?
N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline has a molecular weight of 284.17 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N-[(E)-but-2-enyl]-2-fluoroaniline is sourced from PubChem (CID 101174723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).