ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine

C13H19F3N2O — CID 162764713

IUPACethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESCC.Cc1cc(N2CCOCC2)nc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O.C2H6/c1-8-6-9(11(12,13)14)15-10(7-8)16-2-4-17-5-3-16;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyUIUDOGNHAZDAJH-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.27
Rot. Bonds1

About ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine

ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine (PubChem CID 162764713) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Nameethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine
PubChem CID162764713
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Nameethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESCC.Cc1cc(N2CCOCC2)nc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3N2O.C2H6/c1-8-6-9(11(12,13)14)15-10(7-8)16-2-4-17-5-3-16;1-2/h6-7H,2-5H2,1H3;1-2H3
InChIKeyUIUDOGNHAZDAJH-UHFFFAOYSA-N
XLogP3.27
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine?
The IUPAC name of ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine (CID 162764713) is ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine.
What is the SMILES notation for ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine?
The canonical SMILES for ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine is CC.Cc1cc(N2CCOCC2)nc(C(F)(F)F)c1.
What is the InChIKey of ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine?
The InChIKey is UIUDOGNHAZDAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O.C2H6/c1-8-6-9(11(12,13)14)15-10(7-8)16-2-4-17-5-3-16;1-2/h6-7H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine?
ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine has a molecular weight of 276.30 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[4-methyl-6-(trifluoromethyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 162764713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).