methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate

C10H14F3NO5 — CID 103644630

IUPACmethyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)COCC(F)(F)F)CCO1
InChIInChI=1S/C10H14F3NO5/c1-17-9(16)7-4-14(2-3-19-7)8(15)5-18-6-10(11,12)13/h7H,2-6H2,1H3
InChIKeyOMGGAGPOKKKEIF-UHFFFAOYSA-N
MW285.22 g/mol
LogP-0.03
Rot. Bonds4

About methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate

methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate (PubChem CID 103644630) has the molecular formula C10H14F3NO5 and a molecular weight of 285.22 g/mol. Its IUPAC name is methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate
PubChem CID103644630
Molecular FormulaC10H14F3NO5
Molecular Weight285.22 g/mol
Exact Mass285.08
IUPAC Namemethyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)COCC(F)(F)F)CCO1
InChIInChI=1S/C10H14F3NO5/c1-17-9(16)7-4-14(2-3-19-7)8(15)5-18-6-10(11,12)13/h7H,2-6H2,1H3
InChIKeyOMGGAGPOKKKEIF-UHFFFAOYSA-N
XLogP-0.03
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-1-morpholinopropan-1-one
CID 2780521
4-Acetylmorpholine-2-carboxylic acid
CID 20598078
1-Morpholin-4-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 45887346
Lithium 4-methyl-3-oxomorpholine-2-carboxylate
CID 134690767
4-[(Tert-butoxy)carbonyl]-6-(trifluoromethyl)morpholine-2-carboxylicacid
CID 146082319
Ethyl 4-methyl-3-oxomorpholine-2-carboxylate
CID 15649493
2,3,3,3-Tetrafluoro-1-morpholin-4-yl-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-trifluoromethoxyethoxy)-ethoxy]-ethoxy]-propan-1-one
CID 576665
Ethyl 4-(2,2,2-trifluoroacetyl)oxymorpholine-2-carboxylate
CID 68477943
(2R,6S)-4-tert-butoxycarbonyl-6-(trifluoromethyl)morpholine-2-carboxylic acid
CID 118313489
2-[2-[Methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate
CID 140799711
[2-(2-Methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 140890091
1-[4-[2-(2-Ethoxyethoxy)propanoyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 51099292

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate (CID 103644630) is methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate is COC(=O)C1CN(C(=O)COCC(F)(F)F)CCO1.
What is the InChIKey of methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate?
The InChIKey is OMGGAGPOKKKEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO5/c1-17-9(16)7-4-14(2-3-19-7)8(15)5-18-6-10(11,12)13/h7H,2-6H2,1H3.
What are the key properties of methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate?
methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate has a molecular weight of 285.22 g/mol, XLogP of -0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2,2,2-trifluoroethoxy)acetyl]morpholine-2-carboxylate is sourced from PubChem (CID 103644630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).