8-methoxy-2-(trifluoromethyl)quinoline

C11H8F3NO — CID 614880

IUPAC8-methoxy-2-(trifluoromethyl)quinoline
SMILESCOc1cccc2ccc(C(F)(F)F)nc12
InChIInChI=1S/C11H8F3NO/c1-16-8-4-2-3-7-5-6-9(11(12,13)14)15-10(7)8/h2-6H,1H3
InChIKeyVQYHZEVXRSWJGI-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.26
Rot. Bonds1

About 8-methoxy-2-(trifluoromethyl)quinoline

8-methoxy-2-(trifluoromethyl)quinoline (PubChem CID 614880) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 8-methoxy-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name8-methoxy-2-(trifluoromethyl)quinoline
PubChem CID614880
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name8-methoxy-2-(trifluoromethyl)quinoline
SMILESCOc1cccc2ccc(C(F)(F)F)nc12
InChIInChI=1S/C11H8F3NO/c1-16-8-4-2-3-7-5-6-9(11(12,13)14)15-10(7)8/h2-6H,1H3
InChIKeyVQYHZEVXRSWJGI-UHFFFAOYSA-N
XLogP3.26
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-(trifluoromethyl)quinoline?
The IUPAC name of 8-methoxy-2-(trifluoromethyl)quinoline (CID 614880) is 8-methoxy-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 8-methoxy-2-(trifluoromethyl)quinoline?
The canonical SMILES for 8-methoxy-2-(trifluoromethyl)quinoline is COc1cccc2ccc(C(F)(F)F)nc12.
What is the InChIKey of 8-methoxy-2-(trifluoromethyl)quinoline?
The InChIKey is VQYHZEVXRSWJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c1-16-8-4-2-3-7-5-6-9(11(12,13)14)15-10(7)8/h2-6H,1H3.
What are the key properties of 8-methoxy-2-(trifluoromethyl)quinoline?
8-methoxy-2-(trifluoromethyl)quinoline has a molecular weight of 227.19 g/mol, XLogP of 3.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 614880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).