2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol

C14H13F3N2O — CID 154632256

IUPAC2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol
SMILESCC(C)(O)c1cc(C(F)(F)F)nnc1-c1ccccc1
InChIInChI=1S/C14H13F3N2O/c1-13(2,20)10-8-11(14(15,16)17)18-19-12(10)9-6-4-3-5-7-9/h3-8,20H,1-2H3
InChIKeyBUONBNZBQJNGDD-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.39
Rot. Bonds2

About 2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol

2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol (PubChem CID 154632256) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol
PubChem CID154632256
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol
SMILESCC(C)(O)c1cc(C(F)(F)F)nnc1-c1ccccc1
InChIInChI=1S/C14H13F3N2O/c1-13(2,20)10-8-11(14(15,16)17)18-19-12(10)9-6-4-3-5-7-9/h3-8,20H,1-2H3
InChIKeyBUONBNZBQJNGDD-UHFFFAOYSA-N
XLogP3.39
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol?
The IUPAC name of 2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol (CID 154632256) is 2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol?
The canonical SMILES for 2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol is CC(C)(O)c1cc(C(F)(F)F)nnc1-c1ccccc1.
What is the InChIKey of 2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol?
The InChIKey is BUONBNZBQJNGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-13(2,20)10-8-11(14(15,16)17)18-19-12(10)9-6-4-3-5-7-9/h3-8,20H,1-2H3.
What are the key properties of 2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol?
2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol has a molecular weight of 282.26 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-phenyl-6-(trifluoromethyl)pyridazin-4-yl]propan-2-ol is sourced from PubChem (CID 154632256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).