(3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one

C20H12FNO2S — CID 58926121

IUPAC(3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one
SMILESO=C1Nc2cc(F)ccc2/C1=C1/C=C(c2csc3ccccc23)CO1
InChIInChI=1S/C20H12FNO2S/c21-12-5-6-14-16(8-12)22-20(23)19(14)17-7-11(9-24-17)15-10-25-18-4-2-1-3-13(15)18/h1-8,10H,9H2,(H,22,23)/b19-17+
InChIKeyVCWVHGLQASKDKF-HTXNQAPBSA-N
MW349.39 g/mol
LogP4.82
Rot. Bonds1

About (3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one

(3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one (PubChem CID 58926121) has the molecular formula C20H12FNO2S and a molecular weight of 349.39 g/mol. Its IUPAC name is (3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one
PubChem CID58926121
Molecular FormulaC20H12FNO2S
Molecular Weight349.39 g/mol
Exact Mass349.06
IUPAC Name(3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one
SMILESO=C1Nc2cc(F)ccc2/C1=C1/C=C(c2csc3ccccc23)CO1
InChIInChI=1S/C20H12FNO2S/c21-12-5-6-14-16(8-12)22-20(23)19(14)17-7-11(9-24-17)15-10-25-18-4-2-1-3-13(15)18/h1-8,10H,9H2,(H,22,23)/b19-17+
InChIKeyVCWVHGLQASKDKF-HTXNQAPBSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one (CID 58926121) is (3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one is O=C1Nc2cc(F)ccc2/C1=C1/C=C(c2csc3ccccc23)CO1.
What is the InChIKey of (3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one?
The InChIKey is VCWVHGLQASKDKF-HTXNQAPBSA-N. The full InChI is InChI=1S/C20H12FNO2S/c21-12-5-6-14-16(8-12)22-20(23)19(14)17-7-11(9-24-17)15-10-25-18-4-2-1-3-13(15)18/h1-8,10H,9H2,(H,22,23)/b19-17+.
What are the key properties of (3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one?
(3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one has a molecular weight of 349.39 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[3-(1-benzothiophen-3-yl)-2H-furan-5-ylidene]-6-fluoro-1H-indol-2-one is sourced from PubChem (CID 58926121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).