1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

C18H16FNO3 — CID 4609329

IUPAC1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2F)c2ccccc2C12OCCCO2
InChIInChI=1S/C18H16FNO3/c19-15-8-3-1-6-13(15)12-20-16-9-4-2-7-14(16)18(17(20)21)22-10-5-11-23-18/h1-4,6-9H,5,10-12H2
InChIKeyWWTPFRGNPFUWKY-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.96
Rot. Bonds2

About 1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (PubChem CID 4609329) has the molecular formula C18H16FNO3 and a molecular weight of 313.33 g/mol. Its IUPAC name is 1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
PubChem CID4609329
Molecular FormulaC18H16FNO3
Molecular Weight313.33 g/mol
Exact Mass313.11
IUPAC Name1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2F)c2ccccc2C12OCCCO2
InChIInChI=1S/C18H16FNO3/c19-15-8-3-1-6-13(15)12-20-16-9-4-2-7-14(16)18(17(20)21)22-10-5-11-23-18/h1-4,6-9H,5,10-12H2
InChIKeyWWTPFRGNPFUWKY-UHFFFAOYSA-N
XLogP2.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one (CID 4609329) is 1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is O=C1N(Cc2ccccc2F)c2ccccc2C12OCCCO2.
What is the InChIKey of 1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
The InChIKey is WWTPFRGNPFUWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO3/c19-15-8-3-1-6-13(15)12-20-16-9-4-2-7-14(16)18(17(20)21)22-10-5-11-23-18/h1-4,6-9H,5,10-12H2.
What are the key properties of 1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one?
1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one has a molecular weight of 313.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-fluorophenyl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one is sourced from PubChem (CID 4609329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).