1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid

C9H14F3NO4 — CID 135239444

IUPAC1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCOC(C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO2.C2HF3O2/c1-6-5-8(7(2)9)3-4-10-6;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3;(H,6,7)
InChIKeyIBQCBPSBCBUHCR-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.89
Rot. Bonds

About 1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid

1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid (PubChem CID 135239444) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid
PubChem CID135239444
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Name1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCOC(C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13NO2.C2HF3O2/c1-6-5-8(7(2)9)3-4-10-6;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3;(H,6,7)
InChIKeyIBQCBPSBCBUHCR-UHFFFAOYSA-N
XLogP0.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
[(2R,6S)-2,6-Dimethylmorpholin-4-YL](oxo)acetic acid
CID 12051430
1-Morpholin-4-ylpropan-2-yl 2,2-difluoroacetate
CID 58855390
2,2,2-trifluoro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 59833327
2,2,2-Trifluoro-1-(2-methylmorpholin-4-yl)ethanone
CID 62490417
1-(2-Ethylmorpholin-4-yl)-2,2,2-trifluoroethanone
CID 62733177
2-Fluoro-2,6-dimethylmorpholine-4-carboxylic acid
CID 67249892
2-(Difluoromethyl)morpholine-4-carboxylic acid
CID 68849173
2,2-difluoro-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 90213238
1-(3-Methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid
CID 135239434
[2-(2-Methylmorpholin-4-yl)-2-oxoethyl] 2,2,2-trifluoroacetate
CID 140890091
4,4-Dimethyl-2-(trifluoromethyl)morpholin-4-ium-2-ol;2,2,2-trifluoroacetate
CID 146629435

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid (CID 135239444) is 1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCOC(C)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is IBQCBPSBCBUHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2HF3O2/c1-6-5-8(7(2)9)3-4-10-6;3-2(4,5)1(6)7/h6H,3-5H2,1-2H3;(H,6,7).
What are the key properties of 1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid?
1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 257.21 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135239444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).