1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene

C10H7BrClF3 — CID 169476529

IUPAC1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C=CCBr)c(Cl)c1
InChIInChI=1S/C10H7BrClF3/c11-5-1-2-7-3-4-8(6-9(7)12)10(13,14)15/h1-4,6H,5H2
InChIKeyDKCRLWLVWPLMDL-UHFFFAOYSA-N
MW299.52 g/mol
LogP4.77
Rot. Bonds2

About 1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene

1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene (PubChem CID 169476529) has the molecular formula C10H7BrClF3 and a molecular weight of 299.52 g/mol. Its IUPAC name is 1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene
PubChem CID169476529
Molecular FormulaC10H7BrClF3
Molecular Weight299.52 g/mol
Exact Mass297.94
IUPAC Name1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C=CCBr)c(Cl)c1
InChIInChI=1S/C10H7BrClF3/c11-5-1-2-7-3-4-8(6-9(7)12)10(13,14)15/h1-4,6H,5H2
InChIKeyDKCRLWLVWPLMDL-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.52
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene 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-chloro-4-(trifluoromethyl)phenyl]but-3-enal
CID 170482954
[2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol
CID 169476264
1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene
CID 169476626
2-(3-bromoprop-1-enyl)-1,3-dichloro-5-(trifluoromethyl)benzene
CID 169476243
4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enamide
CID 170799023
S-[4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enyl] ethanethioate
CID 170481235
3-[2-chloro-4-(trifluoromethyl)phenyl]prop-2-enamide
CID 169482778
3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463994
5-[(Z)-2-[2-chloro-4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazole
CID 50942903
benzyl N-[4-[2-chloro-4-(trifluoromethyl)phenyl]but-3-enyl]carbamate
CID 170495162
4-[2-bromo-4-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170488006
2-chloro-1-ethyl-4-(trifluoromethyl)benzene;ethane
CID 144611727

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene (CID 169476529) is 1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C=CCBr)c(Cl)c1.
What is the InChIKey of 1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene?
The InChIKey is DKCRLWLVWPLMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClF3/c11-5-1-2-7-3-4-8(6-9(7)12)10(13,14)15/h1-4,6H,5H2.
What are the key properties of 1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene?
1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene has a molecular weight of 299.52 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 169476529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).