COPFEQUXQQNFJI-UHFFFAOYSA-N

Name: COPFEQUXQQNFJI-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₆ClF₃N₂O₂ — CID 155235450

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole

SMILESFC(F)(F)Oc1ccc2ncc(-c3ncco3)c(Cl)c2c1

InChIInChI=1S/C13H6ClF3N2O2/c14-11-8-5-7(21-13(15,16)17)1-2-10(8)19-6-9(11)12-18-3-4-20-12/h1-6H

InChIKeyCOPFEQUXQQNFJI-UHFFFAOYSA-N

MW314.65 g/mol

LogP4.44

Rot. Bonds2

About COPFEQUXQQNFJI-UHFFFAOYSA-N

COPFEQUXQQNFJI-UHFFFAOYSA-N (PubChem CID 155235450) has the molecular formula C₁₃H₆ClF₃N₂O₂ and a molecular weight of 314.65 g/mol. Its IUPAC name is 2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name	COPFEQUXQQNFJI-UHFFFAOYSA-N
PubChem CID	155235450
Molecular Formula	C₁₃H₆ClF₃N₂O₂
Molecular Weight	314.65 g/mol
Exact Mass	314.01
IUPAC Name	2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole
SMILES	FC(F)(F)Oc1ccc2ncc(-c3ncco3)c(Cl)c2c1
InChI	InChI=1S/C13H6ClF3N2O2/c14-11-8-5-7(21-13(15,16)17)1-2-10(8)19-6-9(11)12-18-3-4-20-12/h1-6H
InChIKey	COPFEQUXQQNFJI-UHFFFAOYSA-N
XLogP	4.44
TPSA	48.15 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.65
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of COPFEQUXQQNFJI-UHFFFAOYSA-N?

The IUPAC name of COPFEQUXQQNFJI-UHFFFAOYSA-N (CID 155235450) is 2-[4-chloro-6-(trifluoromethoxy)quinolin-3-yl]-1,3-oxazole.

What is the SMILES notation for COPFEQUXQQNFJI-UHFFFAOYSA-N?

The canonical SMILES for COPFEQUXQQNFJI-UHFFFAOYSA-N is FC(F)(F)Oc1ccc2ncc(-c3ncco3)c(Cl)c2c1.

What is the InChIKey of COPFEQUXQQNFJI-UHFFFAOYSA-N?

The InChIKey is COPFEQUXQQNFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2O2/c14-11-8-5-7(21-13(15,16)17)1-2-10(8)19-6-9(11)12-18-3-4-20-12/h1-6H.

What are the key properties of COPFEQUXQQNFJI-UHFFFAOYSA-N?

COPFEQUXQQNFJI-UHFFFAOYSA-N has a molecular weight of 314.65 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for COPFEQUXQQNFJI-UHFFFAOYSA-N is sourced from PubChem (CID 155235450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155235450 — identifiers, structure, computed properties (public domain)

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