4-methylmorpholin-4-ium;2,2,2-trifluoroacetate

C7H12F3NO3 — CID 67341476

IUPAC4-methylmorpholin-4-ium;2,2,2-trifluoroacetate
SMILESC[NH+]1CCOCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-6-2-4-7-5-3-6;3-2(4,5)1(6)7/h2-5H2,1H3;(H,6,7)
InChIKeyFYJPZSUDLPCERB-UHFFFAOYSA-N
MW215.17 g/mol
LogP-2.17
Rot. Bonds

About 4-methylmorpholin-4-ium;2,2,2-trifluoroacetate

4-methylmorpholin-4-ium;2,2,2-trifluoroacetate (PubChem CID 67341476) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-methylmorpholin-4-ium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name4-methylmorpholin-4-ium;2,2,2-trifluoroacetate
PubChem CID67341476
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name4-methylmorpholin-4-ium;2,2,2-trifluoroacetate
SMILESC[NH+]1CCOCC1.O=C([O-])C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-6-2-4-7-5-3-6;3-2(4,5)1(6)7/h2-5H2,1H3;(H,6,7)
InChIKeyFYJPZSUDLPCERB-UHFFFAOYSA-N
XLogP-2.17
TPSA53.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 5-2.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholine, acetate (1:1)
CID 11964105
2-Morpholin-4-ium-4-ylacetate
CID 1616939
Ethyl 2-((2,2,2-trifluoroethyl)amino)acetate
CID 28596014
Morpholin-4-ium 2,2,2-trifluoroacetate
CID 71673346
Morpholine trifluoroacetate
CID 129815299
Morpholin-4-ium;3,3,3-trifluoro-2,2-dimethylpropanoate
CID 155933085
Mor-pholinium acetate
CID 10942589
n-Ethylmorpholinium acetate
CID 70173444
4-Methylmorpholine;2,2,2-trifluoroacetic acid
CID 21271055
2-ethoxy-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 23087526
Morpholine, trifluoroacetate
CID 46242206
Glycine, N-(2,2-difluoroethyl)-, ethyl ester
CID 60921893

Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholin-4-ium;2,2,2-trifluoroacetate?
The IUPAC name of 4-methylmorpholin-4-ium;2,2,2-trifluoroacetate (CID 67341476) is 4-methylmorpholin-4-ium;2,2,2-trifluoroacetate.
What is the SMILES notation for 4-methylmorpholin-4-ium;2,2,2-trifluoroacetate?
The canonical SMILES for 4-methylmorpholin-4-ium;2,2,2-trifluoroacetate is C[NH+]1CCOCC1.O=C([O-])C(F)(F)F.
What is the InChIKey of 4-methylmorpholin-4-ium;2,2,2-trifluoroacetate?
The InChIKey is FYJPZSUDLPCERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2HF3O2/c1-6-2-4-7-5-3-6;3-2(4,5)1(6)7/h2-5H2,1H3;(H,6,7).
What are the key properties of 4-methylmorpholin-4-ium;2,2,2-trifluoroacetate?
4-methylmorpholin-4-ium;2,2,2-trifluoroacetate has a molecular weight of 215.17 g/mol, XLogP of -2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholin-4-ium;2,2,2-trifluoroacetate is sourced from PubChem (CID 67341476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).