8-bromo-6-(trifluoromethoxy)quinoline

C10H5BrF3NO — CID 27274672

IUPAC8-bromo-6-(trifluoromethoxy)quinoline
SMILESFC(F)(F)Oc1cc(Br)c2ncccc2c1
InChIInChI=1S/C10H5BrF3NO/c11-8-5-7(16-10(12,13)14)4-6-2-1-3-15-9(6)8/h1-5H
InChIKeyVDJIPDVPISXOMB-UHFFFAOYSA-N
MW292.05 g/mol
LogP3.90
Rot. Bonds1

About 8-bromo-6-(trifluoromethoxy)quinoline

8-bromo-6-(trifluoromethoxy)quinoline (PubChem CID 27274672) has the molecular formula C10H5BrF3NO and a molecular weight of 292.05 g/mol. Its IUPAC name is 8-bromo-6-(trifluoromethoxy)quinoline.

Molecular Properties

Compound Name8-bromo-6-(trifluoromethoxy)quinoline
PubChem CID27274672
Molecular FormulaC10H5BrF3NO
Molecular Weight292.05 g/mol
Exact Mass290.95
IUPAC Name8-bromo-6-(trifluoromethoxy)quinoline
SMILESFC(F)(F)Oc1cc(Br)c2ncccc2c1
InChIInChI=1S/C10H5BrF3NO/c11-8-5-7(16-10(12,13)14)4-6-2-1-3-15-9(6)8/h1-5H
InChIKeyVDJIPDVPISXOMB-UHFFFAOYSA-N
XLogP3.90
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.05
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-(trifluoromethoxy)quinoline?
The IUPAC name of 8-bromo-6-(trifluoromethoxy)quinoline (CID 27274672) is 8-bromo-6-(trifluoromethoxy)quinoline.
What is the SMILES notation for 8-bromo-6-(trifluoromethoxy)quinoline?
The canonical SMILES for 8-bromo-6-(trifluoromethoxy)quinoline is FC(F)(F)Oc1cc(Br)c2ncccc2c1.
What is the InChIKey of 8-bromo-6-(trifluoromethoxy)quinoline?
The InChIKey is VDJIPDVPISXOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3NO/c11-8-5-7(16-10(12,13)14)4-6-2-1-3-15-9(6)8/h1-5H.
What are the key properties of 8-bromo-6-(trifluoromethoxy)quinoline?
8-bromo-6-(trifluoromethoxy)quinoline has a molecular weight of 292.05 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-(trifluoromethoxy)quinoline is sourced from PubChem (CID 27274672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).