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

C7H12F3NO3 — CID 67341472

IUPAC2-methylmorpholin-4-ium;2,2,2-trifluoroacetate
SMILESCC1C[NH2+]CCO1.O=C([O-])C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-5-4-6-2-3-7-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7)
InChIKeyVBQUXZUTLLWETQ-UHFFFAOYSA-N
MW215.17 g/mol
LogP-1.73
Rot. Bonds

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

2-methylmorpholin-4-ium;2,2,2-trifluoroacetate (PubChem CID 67341472) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-methylmorpholin-4-ium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-methylmorpholin-4-ium;2,2,2-trifluoroacetate
PubChem CID67341472
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2-methylmorpholin-4-ium;2,2,2-trifluoroacetate
SMILESCC1C[NH2+]CCO1.O=C([O-])C(F)(F)F
InChIInChI=1S/C5H11NO.C2HF3O2/c1-5-4-6-2-3-7-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7)
InChIKeyVBQUXZUTLLWETQ-UHFFFAOYSA-N
XLogP-1.73
TPSA65.97 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 ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Trifluoroacetoxypropyl)morpholine
CID 58855493
2-Methyl-6-(trifluoromethyl)morpholine
CID 63901303
2-(Difluoromethyl)morpholine
CID 68846218
(2R,6S)-2-methyl-6-(trifluoromethyl)morpholine hydrochloride
CID 165999831
N-methylmorpholinium trifluoroacetate
CID 67341476
Morpholin-4-ium 2,2,2-trifluoroacetate
CID 71673346
2,2-Difluoro-6-methylmorpholine hydrochloride
CID 165785453
2-(2-Fluoropropan-2-yl)morpholine, trifluoroacetic acid
CID 177801718
Morpholin-2-ylmethyl trifluoroacetate
CID 11206644
Piperidin-3-yl 2,2,2-trifluoroacetate
CID 22357484
Morpholine, trifluoroacetate
CID 46242206
2-(Trifluoromethyl)morpholine
CID 53534845

Frequently Asked Questions

What is the IUPAC name of 2-methylmorpholin-4-ium;2,2,2-trifluoroacetate?
The IUPAC name of 2-methylmorpholin-4-ium;2,2,2-trifluoroacetate (CID 67341472) is 2-methylmorpholin-4-ium;2,2,2-trifluoroacetate.
What is the SMILES notation for 2-methylmorpholin-4-ium;2,2,2-trifluoroacetate?
The canonical SMILES for 2-methylmorpholin-4-ium;2,2,2-trifluoroacetate is CC1C[NH2+]CCO1.O=C([O-])C(F)(F)F.
What is the InChIKey of 2-methylmorpholin-4-ium;2,2,2-trifluoroacetate?
The InChIKey is VBQUXZUTLLWETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.C2HF3O2/c1-5-4-6-2-3-7-5;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3;(H,6,7).
What are the key properties of 2-methylmorpholin-4-ium;2,2,2-trifluoroacetate?
2-methylmorpholin-4-ium;2,2,2-trifluoroacetate has a molecular weight of 215.17 g/mol, XLogP of -1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylmorpholin-4-ium;2,2,2-trifluoroacetate is sourced from PubChem (CID 67341472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).