2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one

C11H15F3N2O2 — CID 72922471

IUPAC2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CC(F)(F)F)N1CCC2(CCCNC2=O)C1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)6-8(17)16-5-3-10(7-16)2-1-4-15-9(10)18/h1-7H2,(H,15,18)
InChIKeyUZTFLNCELVRBLZ-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.07
Rot. Bonds1

About 2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one

2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72922471) has the molecular formula C11H15F3N2O2 and a molecular weight of 264.25 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72922471
Molecular FormulaC11H15F3N2O2
Molecular Weight264.25 g/mol
Exact Mass264.11
IUPAC Name2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(CC(F)(F)F)N1CCC2(CCCNC2=O)C1
InChIInChI=1S/C11H15F3N2O2/c12-11(13,14)6-8(17)16-5-3-10(7-16)2-1-4-15-9(10)18/h1-7H2,(H,15,18)
InChIKeyUZTFLNCELVRBLZ-UHFFFAOYSA-N
XLogP1.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72922471) is 2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(CC(F)(F)F)N1CCC2(CCCNC2=O)C1.
What is the InChIKey of 2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is UZTFLNCELVRBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2/c12-11(13,14)6-8(17)16-5-3-10(7-16)2-1-4-15-9(10)18/h1-7H2,(H,15,18).
What are the key properties of 2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 264.25 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72922471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).