5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane

C24H22ClF6NO — CID 160904167

About 5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane

5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane (PubChem CID 160904167) has the molecular formula C24H22ClF6NO and a molecular weight of 489.89 g/mol. Its IUPAC name is 5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane.

Molecular Properties

• Compound Name: 5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane
• PubChem CID: 160904167
• Molecular Formula: C24H22ClF6NO
• Molecular Weight: 489.89 g/mol
• Exact Mass: 489.13
• IUPAC Name: 5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane
• SMILES: C=C1C(Cl)=CC(c2ccccc2)=C(c2c(F)cc(OCC(F)F)cc2F)N1CC(F)F.CC
• InChI: InChI=1S/C22H16ClF6NO.C2H6/c1-12-16(23)9-15(13-5-3-2-4-6-13)22(30(12)10-19(26)27)21-17(24)7-14(8-18(21)25)31-11-20(28)29;1-2/h2-9,19-20H,1,10-11H2;1-2H3
• InChIKey: SPXCHRSNIHHHEK-UHFFFAOYSA-N
• XLogP: 7.72
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.89
LogP ≤ 5	7.72
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 5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane?

The IUPAC name of 5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane (CID 160904167) is 5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane.

What is the SMILES notation for 5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane?

The canonical SMILES for 5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane is C=C1C(Cl)=CC(c2ccccc2)=C(c2c(F)cc(OCC(F)F)cc2F)N1CC(F)F.CC.

What is the InChIKey of 5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane?

The InChIKey is SPXCHRSNIHHHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF6NO.C2H6/c1-12-16(23)9-15(13-5-3-2-4-6-13)22(30(12)10-19(26)27)21-17(24)7-14(8-18(21)25)31-11-20(28)29;1-2/h2-9,19-20H,1,10-11H2;1-2H3.

What are the key properties of 5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane?

5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane has a molecular weight of 489.89 g/mol, XLogP of 7.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[4-(2,2-difluoroethoxy)-2,6-difluorophenyl]-1-(2,2-difluoroethyl)-6-methylidene-3-phenylpyridine;ethane is sourced from PubChem (CID 160904167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).