4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene

C11H11BrClF3O — CID 71388387

IUPAC4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(CCOCCBr)ccc1Cl
InChIInChI=1S/C11H11BrClF3O/c12-4-6-17-5-3-8-1-2-10(13)9(7-8)11(14,15)16/h1-2,7H,3-6H2
InChIKeyGQSJDBUQIFONKW-UHFFFAOYSA-N
MW331.56 g/mol
LogP4.31
Rot. Bonds5

About 4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene

4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene (PubChem CID 71388387) has the molecular formula C11H11BrClF3O and a molecular weight of 331.56 g/mol. Its IUPAC name is 4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene
PubChem CID71388387
Molecular FormulaC11H11BrClF3O
Molecular Weight331.56 g/mol
Exact Mass329.96
IUPAC Name4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(CCOCCBr)ccc1Cl
InChIInChI=1S/C11H11BrClF3O/c12-4-6-17-5-3-8-1-2-10(13)9(7-8)11(14,15)16/h1-2,7H,3-6H2
InChIKeyGQSJDBUQIFONKW-UHFFFAOYSA-N
XLogP4.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.56
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(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-(2-bromoethoxy)ethyl]-1,2-dichlorobenzene
CID 89246462
2-[4-chloro-3-(trifluoromethyl)phenyl]ethyl cyanate
CID 141397499
[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
1-chloro-4-(iodomethyl)-2-(trifluoromethyl)benzene
CID 89363824
3-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-dimethylpropan-1-amine
CID 170865230
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
2-[4-chloro-3-(trifluoromethyl)phenyl]acetonitrile
CID 5004685
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 66825529
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
CID 86666229
4-(bromomethyl)-2-chloro-1-(trifluoromethyl)benzene
CID 23512765
4-butyl-1-[3-(3,4-dichlorophenyl)propoxy]-2-(trifluoromethyl)benzene
CID 66596590
1-chloro-4-[2-(chloromethoxy)ethoxy]-2-(trifluoromethyl)benzene
CID 154320529

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene?
The IUPAC name of 4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene (CID 71388387) is 4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(CCOCCBr)ccc1Cl.
What is the InChIKey of 4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene?
The InChIKey is GQSJDBUQIFONKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClF3O/c12-4-6-17-5-3-8-1-2-10(13)9(7-8)11(14,15)16/h1-2,7H,3-6H2.
What are the key properties of 4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene?
4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene has a molecular weight of 331.56 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromoethoxy)ethyl]-1-chloro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 71388387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).