2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione

C18H19F2NO4 — CID 163240176

IUPAC2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(F)(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C18H19F2NO4/c19-18(20,12-5-7-17(8-6-12)24-9-10-25-17)11-21-15(22)13-3-1-2-4-14(13)16(21)23/h1-4,12H,5-11H2
InChIKeyYCOAHIINEPQRRS-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.85
Rot. Bonds3

About 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione

2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione (PubChem CID 163240176) has the molecular formula C18H19F2NO4 and a molecular weight of 351.35 g/mol. Its IUPAC name is 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione
PubChem CID163240176
Molecular FormulaC18H19F2NO4
Molecular Weight351.35 g/mol
Exact Mass351.13
IUPAC Name2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(F)(F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C18H19F2NO4/c19-18(20,12-5-7-17(8-6-12)24-9-10-25-17)11-21-15(22)13-3-1-2-4-14(13)16(21)23/h1-4,12H,5-11H2
InChIKeyYCOAHIINEPQRRS-UHFFFAOYSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione 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 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione (CID 163240176) is 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(F)(F)C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione?
The InChIKey is YCOAHIINEPQRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO4/c19-18(20,12-5-7-17(8-6-12)24-9-10-25-17)11-21-15(22)13-3-1-2-4-14(13)16(21)23/h1-4,12H,5-11H2.
What are the key properties of 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione?
2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione has a molecular weight of 351.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoroethyl]isoindole-1,3-dione is sourced from PubChem (CID 163240176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).