5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one

C11H10FNO3 — CID 58932551

IUPAC5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(F)cc2C12OCCCO2
InChIInChI=1S/C11H10FNO3/c12-7-2-3-9-8(6-7)11(10(14)13-9)15-4-1-5-16-11/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyPWPMIEDZSZIMDA-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.37
Rot. Bonds

About 5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one

5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one (PubChem CID 58932551) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one.

Molecular Properties

Compound Name5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one
PubChem CID58932551
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one
SMILESO=C1Nc2ccc(F)cc2C12OCCCO2
InChIInChI=1S/C11H10FNO3/c12-7-2-3-9-8(6-7)11(10(14)13-9)15-4-1-5-16-11/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyPWPMIEDZSZIMDA-UHFFFAOYSA-N
XLogP1.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The IUPAC name of 5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one (CID 58932551) is 5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one.
What is the SMILES notation for 5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The canonical SMILES for 5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one is O=C1Nc2ccc(F)cc2C12OCCCO2.
What is the InChIKey of 5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
The InChIKey is PWPMIEDZSZIMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-7-2-3-9-8(6-7)11(10(14)13-9)15-4-1-5-16-11/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of 5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one?
5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one has a molecular weight of 223.20 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-fluorospiro[1,3-dioxane-2,3'-1H-indole]-2'-one is sourced from PubChem (CID 58932551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).