3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one

C17H12FNO2 — CID 54022737

IUPAC3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C17H12FNO2/c18-12-2-3-15-13(9-12)14(17(20)19-15)8-10-1-4-16-11(7-10)5-6-21-16/h1-4,7-9H,5-6H2,(H,19,20)
InChIKeyLAAZYIXDYKODRJ-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.25
Rot. Bonds1

About 3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one

3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one (PubChem CID 54022737) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one
PubChem CID54022737
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2C1=Cc1ccc2c(c1)CCO2
InChIInChI=1S/C17H12FNO2/c18-12-2-3-15-13(9-12)14(17(20)19-15)8-10-1-4-16-11(7-10)5-6-21-16/h1-4,7-9H,5-6H2,(H,19,20)
InChIKeyLAAZYIXDYKODRJ-UHFFFAOYSA-N
XLogP3.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one (CID 54022737) is 3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one is O=C1Nc2ccc(F)cc2C1=Cc1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one?
The InChIKey is LAAZYIXDYKODRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-12-2-3-15-13(9-12)14(17(20)19-15)8-10-1-4-16-11(7-10)5-6-21-16/h1-4,7-9H,5-6H2,(H,19,20).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one?
3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one has a molecular weight of 281.29 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 54022737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).