2-methylmorpholine;2,2,2-trifluoroacetic acid

C7H12F3NO3 — CID 68841730

IUPAC2-methylmorpholine;2,2,2-trifluoroacetic acid
SMILESCC1CNCCO1.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
LogP0.63
Rot. Bonds

About 2-methylmorpholine;2,2,2-trifluoroacetic acid

2-methylmorpholine;2,2,2-trifluoroacetic acid (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;2,2,2-trifluoroacetic acid
PubChem CID68841730
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2-methylmorpholine;2,2,2-trifluoroacetic acid
SMILESCC1CNCCO1.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
XLogP0.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 144850934
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3-fluoropyrrolidine;2,2,2-trifluoroacetic acid
CID 155896849
[(2R,6R)-6-methylmorpholin-2-yl]methanol;2,2,2-trifluoroacetic acid
CID 146272591
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
2-methyl-1,4-oxazepane;hydrochloride
CID 66718521
ethane;morpholine-2-carboxylic acid
CID 170608685
N-cyclohexylcyclohexanamine;2-methylmorpholine
CID 174732220
morpholin-2-yl hydrogen carbonate
CID 70064874
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
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CID 135347784

Frequently Asked Questions

What is the IUPAC name of 2-methylmorpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methylmorpholine;2,2,2-trifluoroacetic acid (CID 68841730) is 2-methylmorpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methylmorpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methylmorpholine;2,2,2-trifluoroacetic acid is CC1CNCCO1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methylmorpholine;2,2,2-trifluoroacetic acid?
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;2,2,2-trifluoroacetic acid?
2-methylmorpholine;2,2,2-trifluoroacetic acid has a molecular weight of 215.17 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylmorpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68841730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).