2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol

C12H13F6N3O — CID 133420791

IUPAC2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol
SMILESOC(C1CCN(c2ccc(C(F)(F)F)nn2)CC1)C(F)(F)F
InChIInChI=1S/C12H13F6N3O/c13-11(14,15)8-1-2-9(20-19-8)21-5-3-7(4-6-21)10(22)12(16,17)18/h1-2,7,10,22H,3-6H2
InChIKeyHGEAITWQXPTSIW-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.63
Rot. Bonds2

About 2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol

2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol (PubChem CID 133420791) has the molecular formula C12H13F6N3O and a molecular weight of 329.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol
PubChem CID133420791
Molecular FormulaC12H13F6N3O
Molecular Weight329.24 g/mol
Exact Mass329.10
IUPAC Name2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol
SMILESOC(C1CCN(c2ccc(C(F)(F)F)nn2)CC1)C(F)(F)F
InChIInChI=1S/C12H13F6N3O/c13-11(14,15)8-1-2-9(20-19-8)21-5-3-7(4-6-21)10(22)12(16,17)18/h1-2,7,10,22H,3-6H2
InChIKeyHGEAITWQXPTSIW-UHFFFAOYSA-N
XLogP2.63
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol (CID 133420791) is 2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol is OC(C1CCN(c2ccc(C(F)(F)F)nn2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol?
The InChIKey is HGEAITWQXPTSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F6N3O/c13-11(14,15)8-1-2-9(20-19-8)21-5-3-7(4-6-21)10(22)12(16,17)18/h1-2,7,10,22H,3-6H2.
What are the key properties of 2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol?
2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol has a molecular weight of 329.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-[6-(trifluoromethyl)pyridazin-3-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 133420791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).