1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one

C14H16F2N2O2 — CID 162778413

IUPAC1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1OCCC2(CCNCC2)N1c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O2/c15-11-2-1-10(9-12(11)16)18-13(19)20-8-5-14(18)3-6-17-7-4-14/h1-2,9,17H,3-8H2
InChIKeyWQIREAGGJLNDRZ-UHFFFAOYSA-N
MW282.29 g/mol
LogP2.43
Rot. Bonds1

About 1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one

1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one (PubChem CID 162778413) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one
PubChem CID162778413
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one
SMILESO=C1OCCC2(CCNCC2)N1c1ccc(F)c(F)c1
InChIInChI=1S/C14H16F2N2O2/c15-11-2-1-10(9-12(11)16)18-13(19)20-8-5-14(18)3-6-17-7-4-14/h1-2,9,17H,3-8H2
InChIKeyWQIREAGGJLNDRZ-UHFFFAOYSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one?
The IUPAC name of 1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one (CID 162778413) is 1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one is O=C1OCCC2(CCNCC2)N1c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one?
The InChIKey is WQIREAGGJLNDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c15-11-2-1-10(9-12(11)16)18-13(19)20-8-5-14(18)3-6-17-7-4-14/h1-2,9,17H,3-8H2.
What are the key properties of 1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one?
1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one has a molecular weight of 282.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-oxa-1,9-diazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 162778413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).