1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone

C14H22F3NO2 — CID 116588545

IUPAC1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)10-18-9-12(19)11-4-7-20-13(8-11)5-2-1-3-6-13/h11,18H,1-10H2
InChIKeyAGLQKRCVMCTXNT-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.84
Rot. Bonds4

About 1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone

1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone (PubChem CID 116588545) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone.

Molecular Properties

Compound Name1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
PubChem CID116588545
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone
SMILESO=C(CNCC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)10-18-9-12(19)11-4-7-20-13(8-11)5-2-1-3-6-13/h11,18H,1-10H2
InChIKeyAGLQKRCVMCTXNT-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The IUPAC name of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone (CID 116588545) is 1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone.
What is the SMILES notation for 1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The canonical SMILES for 1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone is O=C(CNCC(F)(F)F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
The InChIKey is AGLQKRCVMCTXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)10-18-9-12(19)11-4-7-20-13(8-11)5-2-1-3-6-13/h11,18H,1-10H2.
What are the key properties of 1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone?
1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone has a molecular weight of 293.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[5.5]undecan-4-yl)-2-(2,2,2-trifluoroethylamino)ethanone is sourced from PubChem (CID 116588545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).