8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one

C11H5F3O3 — CID 177434460

IUPAC8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one
SMILESO=C1OCc2oc3cccc(C(F)(F)F)c3c21
InChIInChI=1S/C11H5F3O3/c12-11(13,14)5-2-1-3-6-8(5)9-7(17-6)4-16-10(9)15/h1-3H,4H2
InChIKeyAARARCHMSKFFGK-UHFFFAOYSA-N
MW242.15 g/mol
LogP3.12
Rot. Bonds

About 8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one

8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one (PubChem CID 177434460) has the molecular formula C11H5F3O3 and a molecular weight of 242.15 g/mol. Its IUPAC name is 8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one.

Molecular Properties

Compound Name8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one
PubChem CID177434460
Molecular FormulaC11H5F3O3
Molecular Weight242.15 g/mol
Exact Mass242.02
IUPAC Name8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one
SMILESO=C1OCc2oc3cccc(C(F)(F)F)c3c21
InChIInChI=1S/C11H5F3O3/c12-11(13,14)5-2-1-3-6-8(5)9-7(17-6)4-16-10(9)15/h1-3H,4H2
InChIKeyAARARCHMSKFFGK-UHFFFAOYSA-N
XLogP3.12
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one
CID 177405873
7-tert-butyl-3H-2-benzofuran-1-one
CID 177118099
4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one
CID 18977322
1-[3-methyl-4-(trifluoromethyl)-1-benzofuran-2-yl]ethanol
CID 117123033
10-(trifluoromethyl)benzo[b]xanthen-12-one
CID 135167546
7-(trifluoromethyl)-2,3-dihydroinden-1-one
CID 22754140
2-methyl-4-(trifluoromethyl)-1-benzofuran
CID 175846735
2-fluoro-4-(trifluoromethyl)-1,3-benzoxazole
CID 130953338
3-ethylidene-7-(trifluoromethyl)-2-benzofuran-1-one
CID 162538872
1-[4-(trifluoromethyl)-1,3-benzoxazol-2-yl]ethanone
CID 119014536
1,1-dioxo-7-(trifluoromethyl)-1,2-benzothiazol-3-one
CID 70052054
2-methyl-4-[2-(trifluoromethyl)phenyl]-4,7-dihydro-1H-furo[3,4-d]pyrimidin-5-one
CID 70354245

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one?
The IUPAC name of 8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one (CID 177434460) is 8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one.
What is the SMILES notation for 8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one?
The canonical SMILES for 8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one is O=C1OCc2oc3cccc(C(F)(F)F)c3c21.
What is the InChIKey of 8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one?
The InChIKey is AARARCHMSKFFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3O3/c12-11(13,14)5-2-1-3-6-8(5)9-7(17-6)4-16-10(9)15/h1-3H,4H2.
What are the key properties of 8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one?
8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one has a molecular weight of 242.15 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-3H-furo[3,4-b][1]benzofuran-1-one is sourced from PubChem (CID 177434460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).