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

C7H12F3NO3 — CID 21271055

IUPAC4-methylmorpholine;2,2,2-trifluoroacetic acid
SMILESCN1CCOCC1.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
LogP0.58
Rot. Bonds

About 4-methylmorpholine;2,2,2-trifluoroacetic acid

4-methylmorpholine;2,2,2-trifluoroacetic acid (PubChem CID 21271055) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 4-methylmorpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-methylmorpholine;2,2,2-trifluoroacetic acid
PubChem CID21271055
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name4-methylmorpholine;2,2,2-trifluoroacetic acid
SMILESCN1CCOCC1.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
XLogP0.58
TPSA49.77 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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-methylmorpholine;2,2,2-trifluoroacetic acid (CID 21271055) is 4-methylmorpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-methylmorpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-methylmorpholine;2,2,2-trifluoroacetic acid is CN1CCOCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-methylmorpholine;2,2,2-trifluoroacetic acid?
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-methylmorpholine;2,2,2-trifluoroacetic acid?
4-methylmorpholine;2,2,2-trifluoroacetic acid has a molecular weight of 215.17 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 21271055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).