1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene

C43H32F8N2O — CID 162110782

IUPAC1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene
SMILESC=C.C=C(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.Cc1ccc(-c2ccc(C(F)(F)C(=O)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/C21H15F4N.C20H13F4NO.C2H4/c1-13-3-5-15(6-4-13)16-7-10-20(26-12-16)21(24,25)14(2)18-9-8-17(22)11-19(18)23;1-12-2-4-13(5-3-12)14-6-9-18(25-11-14)20(23,24)19(26)16-8-7-15(21)10-17(16)22;1-2/h3-12H,2H2,1H3;2-11H,1H3;1-2H2
InChIKeyZGCVRTBFYFYXOS-UHFFFAOYSA-N
MW744.73 g/mol
LogP12.25
Rot. Bonds8

About 1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene

1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene (PubChem CID 162110782) has the molecular formula C43H32F8N2O and a molecular weight of 744.73 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene
PubChem CID162110782
Molecular FormulaC43H32F8N2O
Molecular Weight744.73 g/mol
Exact Mass744.24
IUPAC Name1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene
SMILESC=C.C=C(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.Cc1ccc(-c2ccc(C(F)(F)C(=O)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/C21H15F4N.C20H13F4NO.C2H4/c1-13-3-5-15(6-4-13)16-7-10-20(26-12-16)21(24,25)14(2)18-9-8-17(22)11-19(18)23;1-12-2-4-13(5-3-12)14-6-9-18(25-11-14)20(23,24)19(26)16-8-7-15(21)10-17(16)22;1-2/h3-12H,2H2,1H3;2-11H,1H3;1-2H2
InChIKeyZGCVRTBFYFYXOS-UHFFFAOYSA-N
XLogP12.25
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.73
LogP ≤ 512.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene with MolForge

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

Launch Full Analysis

Related Compounds

10,10-Bis(4-pyridinylmethyl)-9(10H)-anthracenone
CID 656732
Dmp-543
CID 9887884
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-3-ylmethyl]benzamide
CID 57392493
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-2-ylmethyl]benzamide
CID 57394195
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
CID 57398678
(4-Fluorophenyl)[6-(4-fluorophenyl)-3-pyridinyl]methanone
CID 1485789
(4-Phenylphenyl)-[4-(2-pyridylmethyl)piperazino]methanone
CID 1148103
10-[(2-Fluoro-4-pyridinyl)methyl]-10-(pyridin-4-ylmethyl)anthracen-9-one
CID 10644338
5-(3,5-dimethylphenyl)-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060653
3-methyl-2-[6-[6-(trifluoromethyl)-3-pyridyl]-3-pyridyl]-1H-quinolin-4-one
CID 67615767
2-[2-fluoro-4-[[6-(trifluoromethyl)-3-pyridyl]methyl]phenyl]-3-methyl-1H-quinolin-4-one
CID 67616383
3-methyl-2-[6-[4-(trifluoromethyl)phenyl]-3-pyridyl]-1H-quinolin-4-one
CID 70692119

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene?
The IUPAC name of 1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene (CID 162110782) is 1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene?
The canonical SMILES for 1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene is C=C.C=C(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(C)cc2)cn1.Cc1ccc(-c2ccc(C(F)(F)C(=O)c3ccc(F)cc3F)nc2)cc1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene?
The InChIKey is ZGCVRTBFYFYXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N.C20H13F4NO.C2H4/c1-13-3-5-15(6-4-13)16-7-10-20(26-12-16)21(24,25)14(2)18-9-8-17(22)11-19(18)23;1-12-2-4-13(5-3-12)14-6-9-18(25-11-14)20(23,24)19(26)16-8-7-15(21)10-17(16)22;1-2/h3-12H,2H2,1H3;2-11H,1H3;1-2H2.
What are the key properties of 1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene?
1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene has a molecular weight of 744.73 g/mol, XLogP of 12.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2,2-difluoro-2-[5-(4-methylphenyl)-2-pyridinyl]ethanone;2-[2-(2,4-difluorophenyl)-1,1-difluoroprop-2-enyl]-5-(4-methylphenyl)pyridine;ethene is sourced from PubChem (CID 162110782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).