(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one

C11H18F3NO3 — CID 51943617

IUPAC(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)OCC(F)(F)F)C[C@@H](C)O1
InChIInChI=1S/C11H18F3NO3/c1-7-4-15(5-8(2)18-7)10(16)9(3)17-6-11(12,13)14/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyZYYJPYNTWDAMKS-IWSPIJDZSA-N
MW269.26 g/mol
LogP1.59
Rot. Bonds3

About (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one

(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 51943617) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID51943617
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESC[C@@H]1CN(C(=O)[C@@H](C)OCC(F)(F)F)C[C@@H](C)O1
InChIInChI=1S/C11H18F3NO3/c1-7-4-15(5-8(2)18-7)10(16)9(3)17-6-11(12,13)14/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyZYYJPYNTWDAMKS-IWSPIJDZSA-N
XLogP1.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one (CID 51943617) is (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one is C[C@@H]1CN(C(=O)[C@@H](C)OCC(F)(F)F)C[C@@H](C)O1.
What is the InChIKey of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is ZYYJPYNTWDAMKS-IWSPIJDZSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-7-4-15(5-8(2)18-7)10(16)9(3)17-6-11(12,13)14/h7-9H,4-6H2,1-3H3/t7-,8-,9-/m1/s1.
What are the key properties of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one?
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 269.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 51943617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).