[5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol

C20H18F2N2O — CID 14461247

IUPAC[5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol
SMILESCC(C)c1nnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C20H18F2N2O/c1-12(2)19-17(11-25)18(13-3-7-15(21)8-4-13)20(24-23-19)14-5-9-16(22)10-6-14/h3-10,12,25H,11H2,1-2H3
InChIKeyQYNIPQMAGZEZJJ-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.70
Rot. Bonds4

About [5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol

[5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol (PubChem CID 14461247) has the molecular formula C20H18F2N2O and a molecular weight of 340.37 g/mol. Its IUPAC name is [5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol.

Molecular Properties

Compound Name[5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol
PubChem CID14461247
Molecular FormulaC20H18F2N2O
Molecular Weight340.37 g/mol
Exact Mass340.14
IUPAC Name[5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol
SMILESCC(C)c1nnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1CO
InChIInChI=1S/C20H18F2N2O/c1-12(2)19-17(11-25)18(13-3-7-15(21)8-4-13)20(24-23-19)14-5-9-16(22)10-6-14/h3-10,12,25H,11H2,1-2H3
InChIKeyQYNIPQMAGZEZJJ-UHFFFAOYSA-N
XLogP4.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol?
The IUPAC name of [5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol (CID 14461247) is [5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol.
What is the SMILES notation for [5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol?
The canonical SMILES for [5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol is CC(C)c1nnc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1CO.
What is the InChIKey of [5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol?
The InChIKey is QYNIPQMAGZEZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O/c1-12(2)19-17(11-25)18(13-3-7-15(21)8-4-13)20(24-23-19)14-5-9-16(22)10-6-14/h3-10,12,25H,11H2,1-2H3.
What are the key properties of [5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol?
[5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol has a molecular weight of 340.37 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(4-fluorophenyl)-3-propan-2-ylpyridazin-4-yl]methanol is sourced from PubChem (CID 14461247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).