trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate

C11H15F3N2O3 — CID 68761550

IUPACtrifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate
SMILESO=C(CN1CC2(CCNCC2)CC1=O)OC(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)19-9(18)6-16-7-10(5-8(16)17)1-3-15-4-2-10/h15H,1-7H2
InChIKeyQWHXMUWEBDTRDJ-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.65
Rot. Bonds2

About trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate

trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate (PubChem CID 68761550) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate.

Molecular Properties

Compound Nametrifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate
PubChem CID68761550
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Nametrifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate
SMILESO=C(CN1CC2(CCNCC2)CC1=O)OC(F)(F)F
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)19-9(18)6-16-7-10(5-8(16)17)1-3-15-4-2-10/h15H,1-7H2
InChIKeyQWHXMUWEBDTRDJ-UHFFFAOYSA-N
XLogP0.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate?
The IUPAC name of trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate (CID 68761550) is trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate.
What is the SMILES notation for trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate?
The canonical SMILES for trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate is O=C(CN1CC2(CCNCC2)CC1=O)OC(F)(F)F.
What is the InChIKey of trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate?
The InChIKey is QWHXMUWEBDTRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)19-9(18)6-16-7-10(5-8(16)17)1-3-15-4-2-10/h15H,1-7H2.
What are the key properties of trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate?
trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate has a molecular weight of 280.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)acetate is sourced from PubChem (CID 68761550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).