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

C15H24F2N2O2 — CID 64887630

IUPAC3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC(C)C1C(=O)NC2(CCCCC2)C(=O)N1CC(F)F
InChIInChI=1S/C15H24F2N2O2/c1-3-10(2)12-13(20)18-15(7-5-4-6-8-15)14(21)19(12)9-11(16)17/h10-12H,3-9H2,1-2H3,(H,18,20)
InChIKeyLCNRGTGARLCZGZ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.33
Rot. Bonds4

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

3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64887630) has the molecular formula C15H24F2N2O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64887630
Molecular FormulaC15H24F2N2O2
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCCC(C)C1C(=O)NC2(CCCCC2)C(=O)N1CC(F)F
InChIInChI=1S/C15H24F2N2O2/c1-3-10(2)12-13(20)18-15(7-5-4-6-8-15)14(21)19(12)9-11(16)17/h10-12H,3-9H2,1-2H3,(H,18,20)
InChIKeyLCNRGTGARLCZGZ-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64887630) is 3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is CCC(C)C1C(=O)NC2(CCCCC2)C(=O)N1CC(F)F.
What is the InChIKey of 3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is LCNRGTGARLCZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2/c1-3-10(2)12-13(20)18-15(7-5-4-6-8-15)14(21)19(12)9-11(16)17/h10-12H,3-9H2,1-2H3,(H,18,20).
What are the key properties of 3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
3-butan-2-yl-4-(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, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-(2,2-difluoroethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64887630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).