morpholine;3-(trifluoromethyl)pyridazine

C9H12F3N3O — CID 164536914

IUPACmorpholine;3-(trifluoromethyl)pyridazine
SMILESC1COCCN1.FC(F)(F)c1cccnn1
InChIInChI=1S/C5H3F3N2.C4H9NO/c6-5(7,8)4-2-1-3-9-10-4;1-3-6-4-2-5-1/h1-3H;5H,1-4H2
InChIKeyNJCMEMXMUHJBPY-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.10
Rot. Bonds

About morpholine;3-(trifluoromethyl)pyridazine

morpholine;3-(trifluoromethyl)pyridazine (PubChem CID 164536914) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is morpholine;3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Namemorpholine;3-(trifluoromethyl)pyridazine
PubChem CID164536914
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Namemorpholine;3-(trifluoromethyl)pyridazine
SMILESC1COCCN1.FC(F)(F)c1cccnn1
InChIInChI=1S/C5H3F3N2.C4H9NO/c6-5(7,8)4-2-1-3-9-10-4;1-3-6-4-2-5-1/h1-3H;5H,1-4H2
InChIKeyNJCMEMXMUHJBPY-UHFFFAOYSA-N
XLogP1.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholine;3-(trifluoromethyl)pyridazine?
The IUPAC name of morpholine;3-(trifluoromethyl)pyridazine (CID 164536914) is morpholine;3-(trifluoromethyl)pyridazine.
What is the SMILES notation for morpholine;3-(trifluoromethyl)pyridazine?
The canonical SMILES for morpholine;3-(trifluoromethyl)pyridazine is C1COCCN1.FC(F)(F)c1cccnn1.
What is the InChIKey of morpholine;3-(trifluoromethyl)pyridazine?
The InChIKey is NJCMEMXMUHJBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2.C4H9NO/c6-5(7,8)4-2-1-3-9-10-4;1-3-6-4-2-5-1/h1-3H;5H,1-4H2.
What are the key properties of morpholine;3-(trifluoromethyl)pyridazine?
morpholine;3-(trifluoromethyl)pyridazine has a molecular weight of 235.21 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine;3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 164536914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).