(2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine

C11H19F3N2O — CID 141468071

IUPAC(2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine
SMILESC[C@@H]1CNC[C@@H](CN2CCC[C@H]2C(F)(F)F)O1
InChIInChI=1S/C11H19F3N2O/c1-8-5-15-6-9(17-8)7-16-4-2-3-10(16)11(12,13)14/h8-10,15H,2-7H2,1H3/t8-,9+,10+/m1/s1
InChIKeyWNXFEGLVMWXUDI-UTLUCORTSA-N
MW252.28 g/mol
LogP1.39
Rot. Bonds2

About (2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine

(2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine (PubChem CID 141468071) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is (2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine
PubChem CID141468071
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name(2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine
SMILESC[C@@H]1CNC[C@@H](CN2CCC[C@H]2C(F)(F)F)O1
InChIInChI=1S/C11H19F3N2O/c1-8-5-15-6-9(17-8)7-16-4-2-3-10(16)11(12,13)14/h8-10,15H,2-7H2,1H3/t8-,9+,10+/m1/s1
InChIKeyWNXFEGLVMWXUDI-UTLUCORTSA-N
XLogP1.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine?
The IUPAC name of (2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine (CID 141468071) is (2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine.
What is the SMILES notation for (2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine?
The canonical SMILES for (2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine is C[C@@H]1CNC[C@@H](CN2CCC[C@H]2C(F)(F)F)O1.
What is the InChIKey of (2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine?
The InChIKey is WNXFEGLVMWXUDI-UTLUCORTSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-8-5-15-6-9(17-8)7-16-4-2-3-10(16)11(12,13)14/h8-10,15H,2-7H2,1H3/t8-,9+,10+/m1/s1.
What are the key properties of (2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine?
(2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine has a molecular weight of 252.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-methyl-6-[[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]methyl]morpholine is sourced from PubChem (CID 141468071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).