(3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one

C16H10FNO2 — CID 10308163

IUPAC(3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2ccccc21
InChIInChI=1S/C16H10FNO2/c17-10-5-6-13-12(7-10)14(16(19)18-13)15-11-4-2-1-3-9(11)8-20-15/h1-7H,8H2,(H,18,19)/b15-14+
InChIKeyYIUXXUJWXAMNBB-CCEZHUSRSA-N
MW267.26 g/mol
LogP3.18
Rot. Bonds

About (3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one

(3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one (PubChem CID 10308163) has the molecular formula C16H10FNO2 and a molecular weight of 267.26 g/mol. Its IUPAC name is (3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one
PubChem CID10308163
Molecular FormulaC16H10FNO2
Molecular Weight267.26 g/mol
Exact Mass267.07
IUPAC Name(3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one
SMILESO=C1Nc2ccc(F)cc2/C1=C1\OCc2ccccc21
InChIInChI=1S/C16H10FNO2/c17-10-5-6-13-12(7-10)14(16(19)18-13)15-11-4-2-1-3-9(11)8-20-15/h1-7H,8H2,(H,18,19)/b15-14+
InChIKeyYIUXXUJWXAMNBB-CCEZHUSRSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 53.18
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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Related Compounds

3-(2-Methoxy-benzylidene)-3H-indol-2-ol
CID 672251
(3E)-3-[(2-methoxyphenyl)methylidene]-1H-indol-2-one
CID 672250
(3Z)-3-[(2-Ethoxyphenyl)methylidene]-5-fluoro-2,3-dihydro-1H-indol-2-one
CID 46504683
(6-fluoro-2-oxo-3-phenyl-1H-quinolin-4-yl) acetate
CID 145961868
(3E)-6-fluoro-3-[(3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 44582306
5-fluoro-3-(4-methoxybenzylidene)-1,3-dihydro-2H-indol-2-one
CID 46504679
(3Z)-5-Fluoro-3-[(2-methoxyphenyl)methylidene]-2,3-dihydro-1H-indol-2-one
CID 46504694
Isatinone A
CID 46913217
3-[methoxy(phenyl)methylidene]-1H-indol-2-one
CID 67005459
(3Z)-3-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-1H-indol-2-one
CID 2419610
2'-amino-5-fluoro-2,5'-dioxospiro[1H-indole-3,4'-indeno[1,2-b]pyran]-3'-carbonitrile
CID 21812564
2-[3-(2,3-Dihydrofuran-2-yl)phenyl]isoindole-1,3-dione
CID 44435695

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one?
The IUPAC name of (3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one (CID 10308163) is (3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one?
The canonical SMILES for (3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one is O=C1Nc2ccc(F)cc2/C1=C1\OCc2ccccc21.
What is the InChIKey of (3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one?
The InChIKey is YIUXXUJWXAMNBB-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H10FNO2/c17-10-5-6-13-12(7-10)14(16(19)18-13)15-11-4-2-1-3-9(11)8-20-15/h1-7H,8H2,(H,18,19)/b15-14+.
What are the key properties of (3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one?
(3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one has a molecular weight of 267.26 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(3H-2-benzofuran-1-ylidene)-5-fluoro-1H-indol-2-one is sourced from PubChem (CID 10308163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).