1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone

C12H19F3N2O2 — CID 86672454

IUPAC1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone
SMILESCC1(C)CNCC2(CCN(C(=O)C(F)(F)F)CC2)O1
InChIInChI=1S/C12H19F3N2O2/c1-10(2)7-16-8-11(19-10)3-5-17(6-4-11)9(18)12(13,14)15/h16H,3-8H2,1-2H3
InChIKeyNMSHVHXASQWLNY-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.31
Rot. Bonds

About 1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone

1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone (PubChem CID 86672454) has the molecular formula C12H19F3N2O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone
PubChem CID86672454
Molecular FormulaC12H19F3N2O2
Molecular Weight280.29 g/mol
Exact Mass280.14
IUPAC Name1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone
SMILESCC1(C)CNCC2(CCN(C(=O)C(F)(F)F)CC2)O1
InChIInChI=1S/C12H19F3N2O2/c1-10(2)7-16-8-11(19-10)3-5-17(6-4-11)9(18)12(13,14)15/h16H,3-8H2,1-2H3
InChIKeyNMSHVHXASQWLNY-UHFFFAOYSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone (CID 86672454) is 1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone is CC1(C)CNCC2(CCN(C(=O)C(F)(F)F)CC2)O1.
What is the InChIKey of 1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone?
The InChIKey is NMSHVHXASQWLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O2/c1-10(2)7-16-8-11(19-10)3-5-17(6-4-11)9(18)12(13,14)15/h16H,3-8H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone?
1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone has a molecular weight of 280.29 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 86672454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).