4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione

C10H2F6O3 — CID 150469709

IUPAC4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c1cc(C(F)(F)F)cc2C(F)(F)F
InChIInChI=1S/C10H2F6O3/c11-9(12,13)3-1-4-6(8(18)19-7(4)17)5(2-3)10(14,15)16/h1-2H
InChIKeyHRNQMPSYZYIOER-UHFFFAOYSA-N
MW284.11 g/mol
LogP3.03
Rot. Bonds

About 4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione

4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione (PubChem CID 150469709) has the molecular formula C10H2F6O3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione
PubChem CID150469709
Molecular FormulaC10H2F6O3
Molecular Weight284.11 g/mol
Exact Mass283.99
IUPAC Name4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c1cc(C(F)(F)F)cc2C(F)(F)F
InChIInChI=1S/C10H2F6O3/c11-9(12,13)3-1-4-6(8(18)19-7(4)17)5(2-3)10(14,15)16/h1-2H
InChIKeyHRNQMPSYZYIOER-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-4-fluoro-2-benzofuran-1,3-dione
CID 122488293
4,6-bis(trifluoromethyl)-2,3-dihydroinden-1-one
CID 121235774
6-tert-butyl-4-chloro-2-benzofuran-1,3-dione
CID 122488287
4-[2-(1,3-dioxo-2-benzofuran-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione
CID 19927218
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
5-[4-(trifluoromethyl)phenyl]-2-benzofuran-1,3-dione
CID 89288630
8-[4-(2,4-dioxo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-8-yl)-2,5-bis(trifluoromethyl)phenyl]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 156785375
4-[2-(1,3-dioxo-2-benzofuran-4-yl)-1,1,1,3-tetrafluoropropan-2-yl]-2-benzofuran-1,3-dione
CID 87108038
3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one
CID 162538872
5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione
CID 14597982
5-(1,1,2,2-tetrafluoro-2-phenylethyl)-2-benzofuran-1,3-dione
CID 118000599
5-[1-oxo-6-(trifluoromethyl)-3H-2-benzofuran-5-yl]-6-(trifluoromethyl)-2-benzofuran-1,3-dione
CID 138706050

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione?
The IUPAC name of 4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione (CID 150469709) is 4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione.
What is the SMILES notation for 4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione?
The canonical SMILES for 4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione is O=C1OC(=O)c2c1cc(C(F)(F)F)cc2C(F)(F)F.
What is the InChIKey of 4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione?
The InChIKey is HRNQMPSYZYIOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F6O3/c11-9(12,13)3-1-4-6(8(18)19-7(4)17)5(2-3)10(14,15)16/h1-2H.
What are the key properties of 4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione?
4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione has a molecular weight of 284.11 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(trifluoromethyl)-2-benzofuran-1,3-dione is sourced from PubChem (CID 150469709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).