(3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone

C17H14F2N2O — CID 10780550

IUPAC(3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCCC(c2ccccc2)=N1
InChIInChI=1S/C17H14F2N2O/c18-14-9-8-13(11-15(14)19)17(22)21-10-4-7-16(20-21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyYAFBUYLGFUEMRI-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.61
Rot. Bonds2

About (3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone

(3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (PubChem CID 10780550) has the molecular formula C17H14F2N2O and a molecular weight of 300.31 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
PubChem CID10780550
Molecular FormulaC17H14F2N2O
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCCC(c2ccccc2)=N1
InChIInChI=1S/C17H14F2N2O/c18-14-9-8-13(11-15(14)19)17(22)21-10-4-7-16(20-21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2
InChIKeyYAFBUYLGFUEMRI-UHFFFAOYSA-N
XLogP3.61
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone (CID 10780550) is (3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is O=C(c1ccc(F)c(F)c1)N1CCCC(c2ccccc2)=N1.
What is the InChIKey of (3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
The InChIKey is YAFBUYLGFUEMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O/c18-14-9-8-13(11-15(14)19)17(22)21-10-4-7-16(20-21)12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2.
What are the key properties of (3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone?
(3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone has a molecular weight of 300.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(6-phenyl-4,5-dihydro-3H-pyridazin-2-yl)methanone is sourced from PubChem (CID 10780550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).