3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C15H24F2N2O2 — CID 64903245

IUPAC3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)(C)C1NC(=O)C2(CCCCC2)N(CC(F)F)C1=O
InChIInChI=1S/C15H24F2N2O2/c1-14(2,3)11-12(20)19(9-10(16)17)15(13(21)18-11)7-5-4-6-8-15/h10-11H,4-9H2,1-3H3,(H,18,21)
InChIKeyQNICABTYHUGXGW-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.33
Rot. Bonds2

About 3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64903245) has the molecular formula C15H24F2N2O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64903245
Molecular FormulaC15H24F2N2O2
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)(C)C1NC(=O)C2(CCCCC2)N(CC(F)F)C1=O
InChIInChI=1S/C15H24F2N2O2/c1-14(2,3)11-12(20)19(9-10(16)17)15(13(21)18-11)7-5-4-6-8-15/h10-11H,4-9H2,1-3H3,(H,18,21)
InChIKeyQNICABTYHUGXGW-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-1-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903246
6-(2,2-difluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64875299
8-tert-butyl-6-(3-fluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 81113250
8-tert-butyl-6-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64902860
1-benzyl-3-tert-butyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903052
1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874785
3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874601
1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874606
6-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 80697288
1,3-dipropyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64872406
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 115943707
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 65463301

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64903245) is 3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(C)(C)C1NC(=O)C2(CCCCC2)N(CC(F)F)C1=O.
What is the InChIKey of 3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is QNICABTYHUGXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2/c1-14(2,3)11-12(20)19(9-10(16)17)15(13(21)18-11)7-5-4-6-8-15/h10-11H,4-9H2,1-3H3,(H,18,21).
What are the key properties of 3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 302.37 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64903245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).