2-Methylmorpholine trifluoroacetate

C7H12F3NO3 — CID 68841730

IUPAC2-methylmorpholine;2,2,2-trifluoroacetic acid
SMILESCC1CNCCO1.C(=O)(C(F)(F)F)O
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—
Rot. Bonds

About 2-Methylmorpholine trifluoroacetate

2-Methylmorpholine trifluoroacetate (PubChem CID 68841730) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-methylmorpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-Methylmorpholine trifluoroacetate
PubChem CID68841730
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2-methylmorpholine;2,2,2-trifluoroacetic acid
SMILESCC1CNCCO1.C(=O)(C(F)(F)F)O
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—
TPSA58.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms14
Complexity139

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-Methylmorpholine trifluoroacetate?
The IUPAC name of 2-Methylmorpholine trifluoroacetate (CID 68841730) is 2-methylmorpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-Methylmorpholine trifluoroacetate?
The canonical SMILES for 2-Methylmorpholine trifluoroacetate is CC1CNCCO1.C(=O)(C(F)(F)F)O.
What is the InChIKey of 2-Methylmorpholine 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-Methylmorpholine trifluoroacetate?
2-Methylmorpholine trifluoroacetate has a molecular weight of 215.17 g/mol, XLogP of not available, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methylmorpholine trifluoroacetate is sourced from PubChem (CID 68841730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).