4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine

C15H14F3N3O — CID 56876445

IUPAC4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(c2ccc(-c3ccccc3)nn2)CCO1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)13-10-21(8-9-22-13)14-7-6-12(19-20-14)11-4-2-1-3-5-11/h1-7,13H,8-10H2
InChIKeyOFKYOVXSEQLLRT-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.91
Rot. Bonds2

About 4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine

4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine (PubChem CID 56876445) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
PubChem CID56876445
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine
SMILESFC(F)(F)C1CN(c2ccc(-c3ccccc3)nn2)CCO1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)13-10-21(8-9-22-13)14-7-6-12(19-20-14)11-4-2-1-3-5-11/h1-7,13H,8-10H2
InChIKeyOFKYOVXSEQLLRT-UHFFFAOYSA-N
XLogP2.91
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine?
The IUPAC name of 4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine (CID 56876445) is 4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for 4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for 4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine is FC(F)(F)C1CN(c2ccc(-c3ccccc3)nn2)CCO1.
What is the InChIKey of 4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine?
The InChIKey is OFKYOVXSEQLLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)13-10-21(8-9-22-13)14-7-6-12(19-20-14)11-4-2-1-3-5-11/h1-7,13H,8-10H2.
What are the key properties of 4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine?
4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine has a molecular weight of 309.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenylpyridazin-3-yl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 56876445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).