1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone

C14H12F2N2O — CID 158676902

IUPAC1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(C(F)F)cc2)nn1
InChIInChI=1S/C14H12F2N2O/c1-9-2-7-12(18-17-9)8-13(19)10-3-5-11(6-4-10)14(15)16/h2-7,14H,8H2,1H3
InChIKeyXALJUVOVTLVSDB-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.15
Rot. Bonds4

About 1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone

1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone (PubChem CID 158676902) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone
PubChem CID158676902
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(C(F)F)cc2)nn1
InChIInChI=1S/C14H12F2N2O/c1-9-2-7-12(18-17-9)8-13(19)10-3-5-11(6-4-10)14(15)16/h2-7,14H,8H2,1H3
InChIKeyXALJUVOVTLVSDB-UHFFFAOYSA-N
XLogP3.15
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-(trifluoromethyl)phenyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 10404089
5,6,7,8-Tetrahydrocinnoline-5-one,3-phenyl
CID 10537105
3-Chloro-6-(4-trifluoromethyl-phenyl)-pyridazine-4-carboxylic acid amide
CID 12085099
3-Trifluoromethyl-indeno[1,2-c]pyridazin-5-one
CID 10332318
Methanone, (2-fluorophenyl)-3-pyridazinyl-
CID 10899673
Pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methanone
CID 15264929
Phenyl-pyridazin-3-yl-methanone
CID 11008594
1-[6-[3-(Trifluoromethyl)phenyl]pyridazin-4-yl]ethanone
CID 10849344
(6-Benzoylpyridazin-3-yl)-phenylmethanone
CID 9994270
1-(3-Methyl-6-phenylpyridazin-4-YL)ethanone
CID 71741630
1-Phenyl-2-pyridazin-3-yl-ethanone
CID 12470857
(3-Chloro-6-methylpyridazin-4-yl)-phenylmethanone
CID 86173615

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone?
The IUPAC name of 1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone (CID 158676902) is 1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone.
What is the SMILES notation for 1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone?
The canonical SMILES for 1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone is Cc1ccc(CC(=O)c2ccc(C(F)F)cc2)nn1.
What is the InChIKey of 1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone?
The InChIKey is XALJUVOVTLVSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-9-2-7-12(18-17-9)8-13(19)10-3-5-11(6-4-10)14(15)16/h2-7,14H,8H2,1H3.
What are the key properties of 1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone?
1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone has a molecular weight of 262.26 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethyl)phenyl]-2-(6-methylpyridazin-3-yl)ethanone is sourced from PubChem (CID 158676902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).