4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine

C13H17F3N2O — CID 146382763

IUPAC4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESCC(C)c1ccc(C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C13H17F3N2O/c1-9(2)10-3-4-11(13(14,15)16)17-12(10)18-5-7-19-8-6-18/h3-4,9H,5-8H2,1-2H3
InChIKeyXUMYGRPTGDKRMW-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.06
Rot. Bonds2

About 4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine

4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine (PubChem CID 146382763) has the molecular formula C13H17F3N2O and a molecular weight of 274.29 g/mol. Its IUPAC name is 4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine
PubChem CID146382763
Molecular FormulaC13H17F3N2O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESCC(C)c1ccc(C(F)(F)F)nc1N1CCOCC1
InChIInChI=1S/C13H17F3N2O/c1-9(2)10-3-4-11(13(14,15)16)17-12(10)18-5-7-19-8-6-18/h3-4,9H,5-8H2,1-2H3
InChIKeyXUMYGRPTGDKRMW-UHFFFAOYSA-N
XLogP3.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine?
The IUPAC name of 4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine (CID 146382763) is 4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine is CC(C)c1ccc(C(F)(F)F)nc1N1CCOCC1.
What is the InChIKey of 4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine?
The InChIKey is XUMYGRPTGDKRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O/c1-9(2)10-3-4-11(13(14,15)16)17-12(10)18-5-7-19-8-6-18/h3-4,9H,5-8H2,1-2H3.
What are the key properties of 4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine?
4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine has a molecular weight of 274.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-propan-2-yl-6-(trifluoromethyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 146382763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).