2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline

C17H12F3NO2 — CID 175975799

IUPAC2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline
SMILESCOc1cc(Oc2ccc3ccccc3n2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3NO2/c1-22-13-8-12(17(18,19)20)9-14(10-13)23-16-7-6-11-4-2-3-5-15(11)21-16/h2-10H,1H3
InChIKeyRGTLZHWEJDVIQG-UHFFFAOYSA-N
MW319.28 g/mol
LogP5.05
Rot. Bonds3

About 2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline

2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline (PubChem CID 175975799) has the molecular formula C17H12F3NO2 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline.

Molecular Properties

Compound Name2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline
PubChem CID175975799
Molecular FormulaC17H12F3NO2
Molecular Weight319.28 g/mol
Exact Mass319.08
IUPAC Name2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline
SMILESCOc1cc(Oc2ccc3ccccc3n2)cc(C(F)(F)F)c1
InChIInChI=1S/C17H12F3NO2/c1-22-13-8-12(17(18,19)20)9-14(10-13)23-16-7-6-11-4-2-3-5-15(11)21-16/h2-10H,1H3
InChIKeyRGTLZHWEJDVIQG-UHFFFAOYSA-N
XLogP5.05
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.28
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline?
The IUPAC name of 2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline (CID 175975799) is 2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline.
What is the SMILES notation for 2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline?
The canonical SMILES for 2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline is COc1cc(Oc2ccc3ccccc3n2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline?
The InChIKey is RGTLZHWEJDVIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO2/c1-22-13-8-12(17(18,19)20)9-14(10-13)23-16-7-6-11-4-2-3-5-15(11)21-16/h2-10H,1H3.
What are the key properties of 2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline?
2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline has a molecular weight of 319.28 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-5-(trifluoromethyl)phenoxy]quinoline is sourced from PubChem (CID 175975799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).