3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione

C13H18F3NO3 — CID 104704541

IUPAC3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1CC(O)C(F)(F)F
InChIInChI=1S/C13H18F3NO3/c14-13(15,16)9(18)8-17-10(19)6-12(7-11(17)20)4-2-1-3-5-12/h9,18H,1-8H2
InChIKeyQCZCMUFHDKHYCS-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.01
Rot. Bonds2

About 3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione

3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 104704541) has the molecular formula C13H18F3NO3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID104704541
Molecular FormulaC13H18F3NO3
Molecular Weight293.28 g/mol
Exact Mass293.12
IUPAC Name3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1CC(O)C(F)(F)F
InChIInChI=1S/C13H18F3NO3/c14-13(15,16)9(18)8-17-10(19)6-12(7-11(17)20)4-2-1-3-5-12/h9,18H,1-8H2
InChIKeyQCZCMUFHDKHYCS-UHFFFAOYSA-N
XLogP2.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.01
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 3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione (CID 104704541) is 3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione is O=C1CC2(CCCCC2)CC(=O)N1CC(O)C(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is QCZCMUFHDKHYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO3/c14-13(15,16)9(18)8-17-10(19)6-12(7-11(17)20)4-2-1-3-5-12/h9,18H,1-8H2.
What are the key properties of 3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione?
3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 293.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 104704541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).