4-bromo-2-chloro-1-(2-fluoroethoxy)benzene

C8H7BrClFO — CID 15058668

IUPAC4-bromo-2-chloro-1-(2-fluoroethoxy)benzene
SMILESFCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClFO/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,3-4H2
InChIKeyKALJSBOWAGXOCY-UHFFFAOYSA-N
MW253.50 g/mol
LogP3.45
Rot. Bonds3

About 4-bromo-2-chloro-1-(2-fluoroethoxy)benzene

4-bromo-2-chloro-1-(2-fluoroethoxy)benzene (PubChem CID 15058668) has the molecular formula C8H7BrClFO and a molecular weight of 253.50 g/mol. Its IUPAC name is 4-bromo-2-chloro-1-(2-fluoroethoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-chloro-1-(2-fluoroethoxy)benzene
PubChem CID15058668
Molecular FormulaC8H7BrClFO
Molecular Weight253.50 g/mol
Exact Mass251.94
IUPAC Name4-bromo-2-chloro-1-(2-fluoroethoxy)benzene
SMILESFCCOc1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClFO/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,3-4H2
InChIKeyKALJSBOWAGXOCY-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-bromo-2-chloro-1-(2-fluoroethoxy)benzene 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 4-bromo-2-chloro-1-(2-fluoroethoxy)benzene?
The IUPAC name of 4-bromo-2-chloro-1-(2-fluoroethoxy)benzene (CID 15058668) is 4-bromo-2-chloro-1-(2-fluoroethoxy)benzene.
What is the SMILES notation for 4-bromo-2-chloro-1-(2-fluoroethoxy)benzene?
The canonical SMILES for 4-bromo-2-chloro-1-(2-fluoroethoxy)benzene is FCCOc1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-1-(2-fluoroethoxy)benzene?
The InChIKey is KALJSBOWAGXOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClFO/c9-6-1-2-8(7(10)5-6)12-4-3-11/h1-2,5H,3-4H2.
What are the key properties of 4-bromo-2-chloro-1-(2-fluoroethoxy)benzene?
4-bromo-2-chloro-1-(2-fluoroethoxy)benzene has a molecular weight of 253.50 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-1-(2-fluoroethoxy)benzene is sourced from PubChem (CID 15058668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).