methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate

C8H12F3NO3 — CID 155970908

IUPACmethyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate
SMILESCOC(=O)CC1COC(C(F)(F)F)CN1
InChIInChI=1S/C8H12F3NO3/c1-14-7(13)2-5-4-15-6(3-12-5)8(9,10)11/h5-6,12H,2-4H2,1H3
InChIKeyGLGBDFMWTNGDOE-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.47
Rot. Bonds2

About methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate

methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate (PubChem CID 155970908) has the molecular formula C8H12F3NO3 and a molecular weight of 227.18 g/mol. Its IUPAC name is methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate
PubChem CID155970908
Molecular FormulaC8H12F3NO3
Molecular Weight227.18 g/mol
Exact Mass227.08
IUPAC Namemethyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate
SMILESCOC(=O)CC1COC(C(F)(F)F)CN1
InChIInChI=1S/C8H12F3NO3/c1-14-7(13)2-5-4-15-6(3-12-5)8(9,10)11/h5-6,12H,2-4H2,1H3
InChIKeyGLGBDFMWTNGDOE-UHFFFAOYSA-N
XLogP0.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate?
The IUPAC name of methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate (CID 155970908) is methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate?
The canonical SMILES for methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate is COC(=O)CC1COC(C(F)(F)F)CN1.
What is the InChIKey of methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate?
The InChIKey is GLGBDFMWTNGDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO3/c1-14-7(13)2-5-4-15-6(3-12-5)8(9,10)11/h5-6,12H,2-4H2,1H3.
What are the key properties of methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate?
methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate has a molecular weight of 227.18 g/mol, XLogP of 0.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(trifluoromethyl)morpholin-3-yl]acetate is sourced from PubChem (CID 155970908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).