3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C14H21F3N2O2 — CID 64874601

IUPAC3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)C1NC(=O)C2(CCCCC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C14H21F3N2O2/c1-9(2)10-11(20)19(8-14(15,16)17)13(12(21)18-10)6-4-3-5-7-13/h9-10H,3-8H2,1-2H3,(H,18,21)
InChIKeyGUIAAHARZIJIFL-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.23
Rot. Bonds2

About 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64874601) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64874601
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCC(C)C1NC(=O)C2(CCCCC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C14H21F3N2O2/c1-9(2)10-11(20)19(8-14(15,16)17)13(12(21)18-10)6-4-3-5-7-13/h9-10H,3-8H2,1-2H3,(H,18,21)
InChIKeyGUIAAHARZIJIFL-UHFFFAOYSA-N
XLogP2.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione with MolForge

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Related Compounds

1-(2-methylpropyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874785
1-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 65463301
1-(2-methylbutyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64874606
6-(cyclobutylmethyl)-8-propan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 65463300
6,8-di(propan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64874595
6-(2,2-difluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64875299
8-butan-2-yl-6-[(E)-but-2-enyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107898298
3-tert-butyl-1-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903245
6-(2-fluoroethyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 80697288
3-tert-butyl-1-ethyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64903246
3-cyclopropyl-1-(3-methylbutyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887536
1-butyl-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64875303

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64874601) is 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CC(C)C1NC(=O)C2(CCCCC2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is GUIAAHARZIJIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-9(2)10-11(20)19(8-14(15,16)17)13(12(21)18-10)6-4-3-5-7-13/h9-10H,3-8H2,1-2H3,(H,18,21).
What are the key properties of 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 306.33 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64874601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).