1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone

C8H12F3NO2 — CID 62733177

IUPAC1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone
SMILESCCC1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C8H12F3NO2/c1-2-6-5-12(3-4-14-6)7(13)8(9,10)11/h6H,2-5H2,1H3
InChIKeyGSDUNCUMRKKDPU-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.19
Rot. Bonds1

About 1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone

1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone (PubChem CID 62733177) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone
PubChem CID62733177
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone
SMILESCCC1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C8H12F3NO2/c1-2-6-5-12(3-4-14-6)7(13)8(9,10)11/h6H,2-5H2,1H3
InChIKeyGSDUNCUMRKKDPU-UHFFFAOYSA-N
XLogP1.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone (CID 62733177) is 1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone is CCC1CN(C(=O)C(F)(F)F)CCO1.
What is the InChIKey of 1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone?
The InChIKey is GSDUNCUMRKKDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c1-2-6-5-12(3-4-14-6)7(13)8(9,10)11/h6H,2-5H2,1H3.
What are the key properties of 1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone?
1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone has a molecular weight of 211.18 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylmorpholin-4-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 62733177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).