3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C9H13F3N2O2 — CID 131262021

IUPAC3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1CC(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)6-14-5-8(16-7(14)15)1-3-13-4-2-8/h13H,1-6H2
InChIKeyMKOLVLFNHXSLKR-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.12
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 131262021) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID131262021
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1CC(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)6-14-5-8(16-7(14)15)1-3-13-4-2-8/h13H,1-6H2
InChIKeyMKOLVLFNHXSLKR-UHFFFAOYSA-N
XLogP1.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 131262021) is 3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCNCC2)CN1CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MKOLVLFNHXSLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c10-9(11,12)6-14-5-8(16-7(14)15)1-3-13-4-2-8/h13H,1-6H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 238.21 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131262021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).