4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C12H17F3N2O2 — CID 64878823

IUPAC4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(CCC(F)(F)F)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)6-7-17-8-9(18)16-11(10(17)19)4-2-1-3-5-11/h1-8H2,(H,16,18)
InChIKeyWSGAEYUBMYGIEG-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.60
Rot. Bonds2

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

4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64878823) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64878823
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Name4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(CCC(F)(F)F)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)6-7-17-8-9(18)16-11(10(17)19)4-2-1-3-5-11/h1-8H2,(H,16,18)
InChIKeyWSGAEYUBMYGIEG-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64878823) is 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is O=C1CN(CCC(F)(F)F)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is WSGAEYUBMYGIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c13-12(14,15)6-7-17-8-9(18)16-11(10(17)19)4-2-1-3-5-11/h1-8H2,(H,16,18).
What are the key properties of 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 278.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64878823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).