[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate

C9H12F3NO4 — CID 140890091

IUPAC[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCC1CN(C(=O)COC(=O)C(F)(F)F)CCO1
InChIInChI=1S/C9H12F3NO4/c1-6-4-13(2-3-16-6)7(14)5-17-8(15)9(10,11)12/h6H,2-5H2,1H3
InChIKeyMEYWBCLOEQGCCY-UHFFFAOYSA-N
MW255.19 g/mol
LogP0.34
Rot. Bonds2

About [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate

[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate (PubChem CID 140890091) has the molecular formula C9H12F3NO4 and a molecular weight of 255.19 g/mol. Its IUPAC name is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
PubChem CID140890091
Molecular FormulaC9H12F3NO4
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
SMILESCC1CN(C(=O)COC(=O)C(F)(F)F)CCO1
InChIInChI=1S/C9H12F3NO4/c1-6-4-13(2-3-16-6)7(14)5-17-8(15)9(10,11)12/h6H,2-5H2,1H3
InChIKeyMEYWBCLOEQGCCY-UHFFFAOYSA-N
XLogP0.34
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate with MolForge

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Related Compounds

2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)-1-(morpholin-4-yl)propan-1-one
CID 3457661
4-(2,3,3,3-Tetrafluoro-2-methoxypropanoyl)morpholine
CID 2828738
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887346
2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
CID 126771662
1-(2,6-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 45893146
1-(2,5-Dimethylmorpholin-4-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 53527409
Acetic acid-2-(4,4-difluoro-piperidin-1-yl)-2-oxo-ethyl Ester
CID 57749455
1-(2-Ethylmorpholin-4-yl)-2,2,2-trifluoroethanone
CID 62733177
1-(2-Methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid
CID 135239444
4,4,4-Trifluorobut-2-ynyl 2-morpholin-4-yl-2-oxoacetate
CID 139567676
(3-Amino-1-morpholin-4-yl-1-oxopropan-2-yl) 2,2,2-trifluoroacetate
CID 140611412
[2-(3-Methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 140890090

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate (CID 140890091) is [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate is CC1CN(C(=O)COC(=O)C(F)(F)F)CCO1.
What is the InChIKey of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate?
The InChIKey is MEYWBCLOEQGCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4/c1-6-4-13(2-3-16-6)7(14)5-17-8(15)9(10,11)12/h6H,2-5H2,1H3.
What are the key properties of [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate?
[2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate has a molecular weight of 255.19 g/mol, XLogP of 0.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 140890091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).