1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane

C24H22F7NO — CID 159258863

About 1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane

1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane (PubChem CID 159258863) has the molecular formula C24H22F7NO and a molecular weight of 473.43 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane.

Molecular Properties

• Compound Name: 1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane
• PubChem CID: 159258863
• Molecular Formula: C24H22F7NO
• Molecular Weight: 473.43 g/mol
• Exact Mass: 473.16
• IUPAC Name: 1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane
• SMILES: C=C1C=CC(c2ccccc2)=C(c2c(F)cc(OCC(F)(F)F)cc2F)N1CC(F)F.CC
• InChI: InChI=1S/C22H16F7NO.C2H6/c1-13-7-8-16(14-5-3-2-4-6-14)21(30(13)11-19(25)26)20-17(23)9-15(10-18(20)24)31-12-22(27,28)29;1-2/h2-10,19H,1,11-12H2;1-2H3
• InChIKey: KWGCLJXGMCKTKQ-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.43
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane?

The IUPAC name of 1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane (CID 159258863) is 1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane.

What is the SMILES notation for 1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane?

The canonical SMILES for 1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane is C=C1C=CC(c2ccccc2)=C(c2c(F)cc(OCC(F)(F)F)cc2F)N1CC(F)F.CC.

What is the InChIKey of 1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane?

The InChIKey is KWGCLJXGMCKTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F7NO.C2H6/c1-13-7-8-16(14-5-3-2-4-6-14)21(30(13)11-19(25)26)20-17(23)9-15(10-18(20)24)31-12-22(27,28)29;1-2/h2-10,19H,1,11-12H2;1-2H3.

What are the key properties of 1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane?

1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane has a molecular weight of 473.43 g/mol, XLogP of 7.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,2-difluoroethyl)-2-[2,6-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methylidene-3-phenylpyridine;ethane is sourced from PubChem (CID 159258863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).