6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline

C16H9BrF3NO2 — CID 122424138

IUPAC6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline
SMILESFC(F)(F)Oc1ccc(Oc2ccc3cc(Br)ccc3n2)cc1
InChIInChI=1S/C16H9BrF3NO2/c17-11-2-7-14-10(9-11)1-8-15(21-14)22-12-3-5-13(6-4-12)23-16(18,19)20/h1-9H
InChIKeyPZLZYCIGQNPDAU-UHFFFAOYSA-N
MW384.15 g/mol
LogP5.69
Rot. Bonds3

About 6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline

6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline (PubChem CID 122424138) has the molecular formula C16H9BrF3NO2 and a molecular weight of 384.15 g/mol. Its IUPAC name is 6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline.

Molecular Properties

Compound Name6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline
PubChem CID122424138
Molecular FormulaC16H9BrF3NO2
Molecular Weight384.15 g/mol
Exact Mass382.98
IUPAC Name6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline
SMILESFC(F)(F)Oc1ccc(Oc2ccc3cc(Br)ccc3n2)cc1
InChIInChI=1S/C16H9BrF3NO2/c17-11-2-7-14-10(9-11)1-8-15(21-14)22-12-3-5-13(6-4-12)23-16(18,19)20/h1-9H
InChIKeyPZLZYCIGQNPDAU-UHFFFAOYSA-N
XLogP5.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.15
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline?
The IUPAC name of 6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline (CID 122424138) is 6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline.
What is the SMILES notation for 6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline?
The canonical SMILES for 6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline is FC(F)(F)Oc1ccc(Oc2ccc3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline?
The InChIKey is PZLZYCIGQNPDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF3NO2/c17-11-2-7-14-10(9-11)1-8-15(21-14)22-12-3-5-13(6-4-12)23-16(18,19)20/h1-9H.
What are the key properties of 6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline?
6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline has a molecular weight of 384.15 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[4-(trifluoromethoxy)phenoxy]quinoline is sourced from PubChem (CID 122424138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).