4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene

C29H24F7N — CID 144502072

About 4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene

4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene (PubChem CID 144502072) has the molecular formula C29H24F7N and a molecular weight of 519.50 g/mol. Its IUPAC name is 4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene.

Molecular Properties

• Compound Name: 4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene
• PubChem CID: 144502072
• Molecular Formula: C29H24F7N
• Molecular Weight: 519.50 g/mol
• Exact Mass: 519.18
• IUPAC Name: 4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene
• SMILES: CCc1ccc(F)cc1F.Cc1cc(-c2cccc(C(C)(F)F)c2)cc(-c2cccc(C(F)(F)F)c2)n1
• InChI: InChI=1S/C21H16F5N.C8H8F2/c1-13-9-16(14-5-3-7-17(10-14)20(2,22)23)12-19(27-13)15-6-4-8-18(11-15)21(24,25)26;1-2-6-3-4-7(9)5-8(6)10/h3-12H,1-2H3;3-5H,2H2,1H3
• InChIKey: STRSBTMRPPNUAV-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.50
LogP ≤ 5	9.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene?

The IUPAC name of 4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene (CID 144502072) is 4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene.

What is the SMILES notation for 4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene?

The canonical SMILES for 4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene is CCc1ccc(F)cc1F.Cc1cc(-c2cccc(C(C)(F)F)c2)cc(-c2cccc(C(F)(F)F)c2)n1.

What is the InChIKey of 4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene?

The InChIKey is STRSBTMRPPNUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F5N.C8H8F2/c1-13-9-16(14-5-3-7-17(10-14)20(2,22)23)12-19(27-13)15-6-4-8-18(11-15)21(24,25)26;1-2-6-3-4-7(9)5-8(6)10/h3-12H,1-2H3;3-5H,2H2,1H3.

What are the key properties of 4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene?

4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene has a molecular weight of 519.50 g/mol, XLogP of 9.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(1,1-difluoroethyl)phenyl]-2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine;1-ethyl-2,4-difluorobenzene is sourced from PubChem (CID 144502072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).