1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one

C9H13F3N2O2 — CID 83897936

IUPAC1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCCNC2)N1CC(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)5-14-7(15)16-6-8(14)2-1-3-13-4-8/h13H,1-6H2
InChIKeyTWWXXFRSPAWDQD-UHFFFAOYSA-N
MW238.21 g/mol
LogP1.12
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one

1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 83897936) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one
PubChem CID83897936
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC Name1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one
SMILESO=C1OCC2(CCCNC2)N1CC(F)(F)F
InChIInChI=1S/C9H13F3N2O2/c10-9(11,12)5-14-7(15)16-6-8(14)2-1-3-13-4-8/h13H,1-6H2
InChIKeyTWWXXFRSPAWDQD-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 1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one (CID 83897936) is 1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one is O=C1OCC2(CCCNC2)N1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is TWWXXFRSPAWDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c10-9(11,12)5-14-7(15)16-6-8(14)2-1-3-13-4-8/h13H,1-6H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one?
1-(2,2,2-trifluoroethyl)-3-oxa-1,9-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 1-(2,2,2-trifluoroethyl)-3-oxa-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 83897936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).