3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine

C11H14F3N3O — CID 144655732

IUPAC3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
SMILESFC(F)(F)CN1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-17-6-3-9(4-7-17)18-10-2-1-5-15-16-10/h1-2,5,9H,3-4,6-8H2
InChIKeyVJMDRVGWPOMYOS-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.88
Rot. Bonds3

About 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine

3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine (PubChem CID 144655732) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine.

Molecular Properties

Compound Name3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
PubChem CID144655732
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine
SMILESFC(F)(F)CN1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C11H14F3N3O/c12-11(13,14)8-17-6-3-9(4-7-17)18-10-2-1-5-15-16-10/h1-2,5,9H,3-4,6-8H2
InChIKeyVJMDRVGWPOMYOS-UHFFFAOYSA-N
XLogP1.88
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine?
The IUPAC name of 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine (CID 144655732) is 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine.
What is the SMILES notation for 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine?
The canonical SMILES for 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine is FC(F)(F)CN1CCC(Oc2cccnn2)CC1.
What is the InChIKey of 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine?
The InChIKey is VJMDRVGWPOMYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c12-11(13,14)8-17-6-3-9(4-7-17)18-10-2-1-5-15-16-10/h1-2,5,9H,3-4,6-8H2.
What are the key properties of 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine?
3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine has a molecular weight of 261.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridazine is sourced from PubChem (CID 144655732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).