2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione

C12H17F2NO3 — CID 106172544

IUPAC2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CC(F)(F)CO
InChIInChI=1S/C12H17F2NO3/c13-12(14,8-16)7-15-9(17)6-11(10(15)18)4-2-1-3-5-11/h16H,1-8H2
InChIKeyJESOXUSLEKTZKL-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.32
Rot. Bonds3

About 2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione

2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 106172544) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID106172544
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CC(F)(F)CO
InChIInChI=1S/C12H17F2NO3/c13-12(14,8-16)7-15-9(17)6-11(10(15)18)4-2-1-3-5-11/h16H,1-8H2
InChIKeyJESOXUSLEKTZKL-UHFFFAOYSA-N
XLogP1.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione (CID 106172544) is 2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1CC(F)(F)CO.
What is the InChIKey of 2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is JESOXUSLEKTZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c13-12(14,8-16)7-15-9(17)6-11(10(15)18)4-2-1-3-5-11/h16H,1-8H2.
What are the key properties of 2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione?
2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 261.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 106172544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).