2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine

C13H16F4N2O — CID 102745010

IUPAC2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine
SMILESCC1(C)CN(c2c(F)c(F)nc(F)c2F)CC(C)(C)O1
InChIInChI=1S/C13H16F4N2O/c1-12(2)5-19(6-13(3,4)20-12)9-7(14)10(16)18-11(17)8(9)15/h5-6H2,1-4H3
InChIKeyGIUAPYVTIJUCJB-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.03
Rot. Bonds1

About 2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine

2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine (PubChem CID 102745010) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine
PubChem CID102745010
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine
SMILESCC1(C)CN(c2c(F)c(F)nc(F)c2F)CC(C)(C)O1
InChIInChI=1S/C13H16F4N2O/c1-12(2)5-19(6-13(3,4)20-12)9-7(14)10(16)18-11(17)8(9)15/h5-6H2,1-4H3
InChIKeyGIUAPYVTIJUCJB-UHFFFAOYSA-N
XLogP3.03
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine?
The IUPAC name of 2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine (CID 102745010) is 2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine is CC1(C)CN(c2c(F)c(F)nc(F)c2F)CC(C)(C)O1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine?
The InChIKey is GIUAPYVTIJUCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c1-12(2)5-19(6-13(3,4)20-12)9-7(14)10(16)18-11(17)8(9)15/h5-6H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine?
2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine has a molecular weight of 292.28 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)morpholine is sourced from PubChem (CID 102745010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).