2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline

Name: 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₁₃F₃N₂O — CID 155556108

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

IUPAC2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline

SMILESFC(F)(F)c1cccc(Oc2nc(-c3ccccc3)nc3ccccc23)c1

InChIInChI=1S/C21H13F3N2O/c22-21(23,24)15-9-6-10-16(13-15)27-20-17-11-4-5-12-18(17)25-19(26-20)14-7-2-1-3-8-14/h1-13H

InChIKeyUURLHJCMTOHEFA-UHFFFAOYSA-N

MW366.34 g/mol

LogP6.11

Rot. Bonds3

About 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline

2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline (PubChem CID 155556108) has the molecular formula C₂₁H₁₃F₃N₂O and a molecular weight of 366.34 g/mol. Its IUPAC name is 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline.

Molecular Properties

Compound Name	2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline
PubChem CID	155556108
Molecular Formula	C₂₁H₁₃F₃N₂O
Molecular Weight	366.34 g/mol
Exact Mass	366.10
IUPAC Name	2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline
SMILES	FC(F)(F)c1cccc(Oc2nc(-c3ccccc3)nc3ccccc23)c1
InChI	InChI=1S/C21H13F3N2O/c22-21(23,24)15-9-6-10-16(13-15)27-20-17-11-4-5-12-18(17)25-19(26-20)14-7-2-1-3-8-14/h1-13H
InChIKey	UURLHJCMTOHEFA-UHFFFAOYSA-N
XLogP	6.11
TPSA	35.01 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	27
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.34
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline?

The IUPAC name of 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline (CID 155556108) is 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline.

What is the SMILES notation for 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline?

The canonical SMILES for 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline is FC(F)(F)c1cccc(Oc2nc(-c3ccccc3)nc3ccccc23)c1.

What is the InChIKey of 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline?

The InChIKey is UURLHJCMTOHEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O/c22-21(23,24)15-9-6-10-16(13-15)27-20-17-11-4-5-12-18(17)25-19(26-20)14-7-2-1-3-8-14/h1-13H.

What are the key properties of 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline?

2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline has a molecular weight of 366.34 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline is sourced from PubChem (CID 155556108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155556108 — identifiers, structure, computed properties (public domain)

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