methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate

C12H13F3N2O3 — CID 140907707

IUPACmethyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN(c2cccc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C12H13F3N2O3/c1-19-11(18)8-7-17(5-6-20-8)10-4-2-3-9(16-10)12(13,14)15/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyYCFNQSPZXXTIPR-QMMMGPOBSA-N
MW290.24 g/mol
LogP1.48
Rot. Bonds2

About methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate

methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate (PubChem CID 140907707) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate
PubChem CID140907707
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Namemethyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN(c2cccc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C12H13F3N2O3/c1-19-11(18)8-7-17(5-6-20-8)10-4-2-3-9(16-10)12(13,14)15/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyYCFNQSPZXXTIPR-QMMMGPOBSA-N
XLogP1.48
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate?
The IUPAC name of methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate (CID 140907707) is methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate?
The canonical SMILES for methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate is COC(=O)[C@@H]1CN(c2cccc(C(F)(F)F)n2)CCO1.
What is the InChIKey of methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate?
The InChIKey is YCFNQSPZXXTIPR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-19-11(18)8-7-17(5-6-20-8)10-4-2-3-9(16-10)12(13,14)15/h2-4,8H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate?
methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate has a molecular weight of 290.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-[6-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboxylate is sourced from PubChem (CID 140907707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).