(3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine

C11H14F3N3O2 — CID 164536873

IUPAC(3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine
SMILESC[C@H]1COC[C@@H](c2ccc(OCC(F)(F)F)nn2)N1
InChIInChI=1S/C11H14F3N3O2/c1-7-4-18-5-9(15-7)8-2-3-10(17-16-8)19-6-11(12,13)14/h2-3,7,9,15H,4-6H2,1H3/t7-,9-/m0/s1
InChIKeyRZBFZHXWJGRWCE-CBAPKCEASA-N
MW277.25 g/mol
LogP1.47
Rot. Bonds3

About (3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine

(3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine (PubChem CID 164536873) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is (3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name(3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine
PubChem CID164536873
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name(3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine
SMILESC[C@H]1COC[C@@H](c2ccc(OCC(F)(F)F)nn2)N1
InChIInChI=1S/C11H14F3N3O2/c1-7-4-18-5-9(15-7)8-2-3-10(17-16-8)19-6-11(12,13)14/h2-3,7,9,15H,4-6H2,1H3/t7-,9-/m0/s1
InChIKeyRZBFZHXWJGRWCE-CBAPKCEASA-N
XLogP1.47
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine?
The IUPAC name of (3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine (CID 164536873) is (3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine.
What is the SMILES notation for (3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine?
The canonical SMILES for (3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine is C[C@H]1COC[C@@H](c2ccc(OCC(F)(F)F)nn2)N1.
What is the InChIKey of (3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine?
The InChIKey is RZBFZHXWJGRWCE-CBAPKCEASA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-7-4-18-5-9(15-7)8-2-3-10(17-16-8)19-6-11(12,13)14/h2-3,7,9,15H,4-6H2,1H3/t7-,9-/m0/s1.
What are the key properties of (3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine?
(3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine has a molecular weight of 277.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-methyl-5-[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]morpholine is sourced from PubChem (CID 164536873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).