8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline

C16H7BrClF4NO — CID 627784

IUPAC8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline
SMILESFc1ccc(Oc2cc(C(F)(F)F)nc3c(Br)cccc23)c(Cl)c1
InChIInChI=1S/C16H7BrClF4NO/c17-10-3-1-2-9-13(7-14(16(20,21)22)23-15(9)10)24-12-5-4-8(19)6-11(12)18/h1-7H
InChIKeyARTLOMJRUIJLIZ-UHFFFAOYSA-N
MW420.59 g/mol
LogP6.60
Rot. Bonds2

About 8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline

8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline (PubChem CID 627784) has the molecular formula C16H7BrClF4NO and a molecular weight of 420.59 g/mol. Its IUPAC name is 8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline
PubChem CID627784
Molecular FormulaC16H7BrClF4NO
Molecular Weight420.59 g/mol
Exact Mass418.93
IUPAC Name8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline
SMILESFc1ccc(Oc2cc(C(F)(F)F)nc3c(Br)cccc23)c(Cl)c1
InChIInChI=1S/C16H7BrClF4NO/c17-10-3-1-2-9-13(7-14(16(20,21)22)23-15(9)10)24-12-5-4-8(19)6-11(12)18/h1-7H
InChIKeyARTLOMJRUIJLIZ-UHFFFAOYSA-N
XLogP6.60
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.59
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline 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 8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline?
The IUPAC name of 8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline (CID 627784) is 8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline?
The canonical SMILES for 8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline is Fc1ccc(Oc2cc(C(F)(F)F)nc3c(Br)cccc23)c(Cl)c1.
What is the InChIKey of 8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline?
The InChIKey is ARTLOMJRUIJLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7BrClF4NO/c17-10-3-1-2-9-13(7-14(16(20,21)22)23-15(9)10)24-12-5-4-8(19)6-11(12)18/h1-7H.
What are the key properties of 8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline?
8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline has a molecular weight of 420.59 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 627784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).