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

C13H19F2NO3 — CID 106172534

IUPAC3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1CC(F)(F)CO
InChIInChI=1S/C13H19F2NO3/c14-13(15,9-17)8-16-10(18)6-12(7-11(16)19)4-2-1-3-5-12/h17H,1-9H2
InChIKeyZVDPOZXIBUXWNI-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.71
Rot. Bonds3

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

3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 106172534) has the molecular formula C13H19F2NO3 and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID106172534
Molecular FormulaC13H19F2NO3
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1CC(F)(F)CO
InChIInChI=1S/C13H19F2NO3/c14-13(15,9-17)8-16-10(18)6-12(7-11(16)19)4-2-1-3-5-12/h17H,1-9H2
InChIKeyZVDPOZXIBUXWNI-UHFFFAOYSA-N
XLogP1.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4,4-Difluorocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 81932354
3-(3,3,3-Trifluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 104704541
3-(3,3-Difluoro-2-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 105649221
2-(2,2-Difluoro-3-hydroxypropyl)-2-azaspiro[4.5]decane-1,3-dione
CID 106172544
1-[4-Hydroxy-4-(trifluoromethyl)piperidin-1-yl]-2-(1-methylcyclohexyl)ethanone
CID 109884505
(4,4-Difluorocyclohexyl)-[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 109907991
(4-Hydroxypiperidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
CID 110895192
8-(2,2-Difluoro-3-hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione
CID 114153726
(4,4-difluoro-1-methylcyclohexyl)-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
CID 138056301
8-(3-Hydroxypropyl)-8-azaspiro[4.5]decane-7,9-dione
CID 3283840
3-(2-Hydroxyethyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 20316685
3-(3-Hydroxypropyl)-3-azaspiro[5.11]heptadecane-2,4-dione
CID 71371185

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione (CID 106172534) is 3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione is O=C1CC2(CCCCC2)CC(=O)N1CC(F)(F)CO.
What is the InChIKey of 3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is ZVDPOZXIBUXWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO3/c14-13(15,9-17)8-16-10(18)6-12(7-11(16)19)4-2-1-3-5-12/h17H,1-9H2.
What are the key properties of 3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione?
3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 275.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-3-hydroxypropyl)-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 106172534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).