5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one

C16H12FNO3 — CID 46194048

IUPAC5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one
SMILESCOc1cc2c(cc1F)C1(CO2)C(=O)Nc2ccccc21
InChIInChI=1S/C16H12FNO3/c1-20-14-7-13-10(6-11(14)17)16(8-21-13)9-4-2-3-5-12(9)18-15(16)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyRCNKQIPIWXAXEE-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.46
Rot. Bonds1

About 5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one

5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one (PubChem CID 46194048) has the molecular formula C16H12FNO3 and a molecular weight of 285.27 g/mol. Its IUPAC name is 5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one.

Molecular Properties

Compound Name5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one
PubChem CID46194048
Molecular FormulaC16H12FNO3
Molecular Weight285.27 g/mol
Exact Mass285.08
IUPAC Name5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one
SMILESCOc1cc2c(cc1F)C1(CO2)C(=O)Nc2ccccc21
InChIInChI=1S/C16H12FNO3/c1-20-14-7-13-10(6-11(14)17)16(8-21-13)9-4-2-3-5-12(9)18-15(16)19/h2-7H,8H2,1H3,(H,18,19)
InChIKeyRCNKQIPIWXAXEE-UHFFFAOYSA-N
XLogP2.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one?
The IUPAC name of 5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one (CID 46194048) is 5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one.
What is the SMILES notation for 5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one?
The canonical SMILES for 5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one is COc1cc2c(cc1F)C1(CO2)C(=O)Nc2ccccc21.
What is the InChIKey of 5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one?
The InChIKey is RCNKQIPIWXAXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO3/c1-20-14-7-13-10(6-11(14)17)16(8-21-13)9-4-2-3-5-12(9)18-15(16)19/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of 5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one?
5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one has a molecular weight of 285.27 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-fluoro-6'-methoxyspiro[1H-indole-3,3'-2H-1-benzofuran]-2-one is sourced from PubChem (CID 46194048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).