(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine

C12H15F3N2O — CID 155974206

IUPAC(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
SMILESC[C@@H]1CN(c2ccnc(C(F)(F)F)c2)C[C@H](C)O1
InChIInChI=1S/C12H15F3N2O/c1-8-6-17(7-9(2)18-8)10-3-4-16-11(5-10)12(13,14)15/h3-5,8-9H,6-7H2,1-2H3/t8-,9+
InChIKeyDPXPFZHFNSOSKX-DTORHVGOSA-N
MW260.26 g/mol
LogP2.71
Rot. Bonds1

About (2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine

(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine (PubChem CID 155974206) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
PubChem CID155974206
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
SMILESC[C@@H]1CN(c2ccnc(C(F)(F)F)c2)C[C@H](C)O1
InChIInChI=1S/C12H15F3N2O/c1-8-6-17(7-9(2)18-8)10-3-4-16-11(5-10)12(13,14)15/h3-5,8-9H,6-7H2,1-2H3/t8-,9+
InChIKeyDPXPFZHFNSOSKX-DTORHVGOSA-N
XLogP2.71
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine (CID 155974206) is (2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine is C[C@@H]1CN(c2ccnc(C(F)(F)F)c2)C[C@H](C)O1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine?
The InChIKey is DPXPFZHFNSOSKX-DTORHVGOSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8-6-17(7-9(2)18-8)10-3-4-16-11(5-10)12(13,14)15/h3-5,8-9H,6-7H2,1-2H3/t8-,9+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine has a molecular weight of 260.26 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine is sourced from PubChem (CID 155974206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).