7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one

C20H20FNO3 — CID 56968016

IUPAC7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one
SMILESCC1(C)CC2(C(=O)Nc3ccccc32)c2ccc(OCCF)cc2O1
InChIInChI=1S/C20H20FNO3/c1-19(2)12-20(14-5-3-4-6-16(14)22-18(20)23)15-8-7-13(24-10-9-21)11-17(15)25-19/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyZGGWVGQATHMLHG-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.83
Rot. Bonds3

About 7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one

7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one (PubChem CID 56968016) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one.

Molecular Properties

Compound Name7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one
PubChem CID56968016
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one
SMILESCC1(C)CC2(C(=O)Nc3ccccc32)c2ccc(OCCF)cc2O1
InChIInChI=1S/C20H20FNO3/c1-19(2)12-20(14-5-3-4-6-16(14)22-18(20)23)15-8-7-13(24-10-9-21)11-17(15)25-19/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)
InChIKeyZGGWVGQATHMLHG-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one?
The IUPAC name of 7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one (CID 56968016) is 7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one.
What is the SMILES notation for 7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one?
The canonical SMILES for 7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one is CC1(C)CC2(C(=O)Nc3ccccc32)c2ccc(OCCF)cc2O1.
What is the InChIKey of 7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one?
The InChIKey is ZGGWVGQATHMLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-19(2)12-20(14-5-3-4-6-16(14)22-18(20)23)15-8-7-13(24-10-9-21)11-17(15)25-19/h3-8,11H,9-10,12H2,1-2H3,(H,22,23).
What are the key properties of 7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one?
7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one has a molecular weight of 341.38 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-(2-fluoroethoxy)-2',2'-dimethylspiro[1H-indole-3,4'-3H-chromene]-2-one is sourced from PubChem (CID 56968016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).