6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one

Name: 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₁F₃O₃ — CID 71559779

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

IUPAC6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one

SMILESO=C1OCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21

InChIInChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2

InChIKeyHSTJKFDGUZMVEG-UHFFFAOYSA-N

MW308.25 g/mol

LogP3.95

Rot. Bonds3

About 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one

6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one (PubChem CID 71559779) has the molecular formula C₁₆H₁₁F₃O₃ and a molecular weight of 308.25 g/mol. Its IUPAC name is 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name	6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one
PubChem CID	71559779
Molecular Formula	C₁₆H₁₁F₃O₃
Molecular Weight	308.25 g/mol
Exact Mass	308.07
IUPAC Name	6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one
SMILES	O=C1OCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21
InChI	InChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2
InChIKey	HSTJKFDGUZMVEG-UHFFFAOYSA-N
XLogP	3.95
TPSA	35.53 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.25
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one?

The IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one (CID 71559779) is 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one.

What is the SMILES notation for 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one?

The canonical SMILES for 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one is O=C1OCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21.

What is the InChIKey of 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one?

The InChIKey is HSTJKFDGUZMVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O3/c17-16(18,19)12-4-1-10(2-5-12)8-21-13-6-3-11-9-22-15(20)14(11)7-13/h1-7H,8-9H2.

What are the key properties of 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one?

6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one has a molecular weight of 308.25 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-(trifluoromethyl)phenyl]methoxy]-3H-2-benzofuran-1-one is sourced from PubChem (CID 71559779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 71559779 — identifiers, structure, computed properties (public domain)

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