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

C12H16F3NO3 — CID 104704516

IUPAC2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CC(O)C(F)(F)F
InChIInChI=1S/C12H16F3NO3/c13-12(14,15)8(17)7-16-9(18)6-11(10(16)19)4-2-1-3-5-11/h8,17H,1-7H2
InChIKeyPIFLEHXIPWHTTB-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.62
Rot. Bonds2

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

2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 104704516) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID104704516
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1CC(O)C(F)(F)F
InChIInChI=1S/C12H16F3NO3/c13-12(14,15)8(17)7-16-9(18)6-11(10(16)19)4-2-1-3-5-11/h8,17H,1-7H2
InChIKeyPIFLEHXIPWHTTB-UHFFFAOYSA-N
XLogP1.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.62
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-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione (CID 104704516) is 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1CC(O)C(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is PIFLEHXIPWHTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c13-12(14,15)8(17)7-16-9(18)6-11(10(16)19)4-2-1-3-5-11/h8,17H,1-7H2.
What are the key properties of 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione?
2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 279.26 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoro-2-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 104704516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).