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

C12H17F3N2O3 — CID 66644800

IUPACtrifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate
SMILESCC(C(=O)OC(F)(F)F)N1CC2(CCNCC2)CC1=O
InChIInChI=1S/C12H17F3N2O3/c1-8(10(19)20-12(13,14)15)17-7-11(6-9(17)18)2-4-16-5-3-11/h8,16H,2-7H2,1H3
InChIKeyTWUWGVJDRIXAPR-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.04
Rot. Bonds2

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

trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate (PubChem CID 66644800) has the molecular formula C12H17F3N2O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate.

Molecular Properties

Compound Nametrifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate
PubChem CID66644800
Molecular FormulaC12H17F3N2O3
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Nametrifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate
SMILESCC(C(=O)OC(F)(F)F)N1CC2(CCNCC2)CC1=O
InChIInChI=1S/C12H17F3N2O3/c1-8(10(19)20-12(13,14)15)17-7-11(6-9(17)18)2-4-16-5-3-11/h8,16H,2-7H2,1H3
InChIKeyTWUWGVJDRIXAPR-UHFFFAOYSA-N
XLogP1.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.04
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)propanoate?
The IUPAC name of trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate (CID 66644800) is trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate.
What is the SMILES notation for trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate?
The canonical SMILES for trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate is CC(C(=O)OC(F)(F)F)N1CC2(CCNCC2)CC1=O.
What is the InChIKey of trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate?
The InChIKey is TWUWGVJDRIXAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3/c1-8(10(19)20-12(13,14)15)17-7-11(6-9(17)18)2-4-16-5-3-11/h8,16H,2-7H2,1H3.
What are the key properties of trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate?
trifluoromethyl 2-(3-oxo-2,8-diazaspiro[4.5]decan-2-yl)propanoate has a molecular weight of 294.27 g/mol, XLogP of 1.04, 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)propanoate is sourced from PubChem (CID 66644800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).