5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane

C30H31F5O2 — CID 58535586

About 5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane

5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane (PubChem CID 58535586) has the molecular formula C30H31F5O2 and a molecular weight of 518.57 g/mol. Its IUPAC name is 5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane.

Molecular Properties

• Compound Name: 5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane
• PubChem CID: 58535586
• Molecular Formula: C30H31F5O2
• Molecular Weight: 518.57 g/mol
• Exact Mass: 518.22
• IUPAC Name: 5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane
• SMILES: CCCc1ccc(-c2ccc(-c3ccc(CCC4CCC(OCC)OC4)c(F)c3F)c(F)c2F)cc1F
• InChI: InChI=1S/C30H31F5O2/c1-3-5-19-9-10-21(16-25(19)31)22-13-14-24(30(35)28(22)33)23-12-11-20(27(32)29(23)34)8-6-18-7-15-26(36-4-2)37-17-18/h9-14,16,18,26H,3-8,15,17H2,1-2H3
• InChIKey: GGRVOVCSCPCEOR-UHFFFAOYSA-N
• XLogP: 8.39
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.57
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane?

The IUPAC name of 5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane (CID 58535586) is 5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane.

What is the SMILES notation for 5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane?

The canonical SMILES for 5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane is CCCc1ccc(-c2ccc(-c3ccc(CCC4CCC(OCC)OC4)c(F)c3F)c(F)c2F)cc1F.

What is the InChIKey of 5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane?

The InChIKey is GGRVOVCSCPCEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F5O2/c1-3-5-19-9-10-21(16-25(19)31)22-13-14-24(30(35)28(22)33)23-12-11-20(27(32)29(23)34)8-6-18-7-15-26(36-4-2)37-17-18/h9-14,16,18,26H,3-8,15,17H2,1-2H3.

What are the key properties of 5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane?

5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane has a molecular weight of 518.57 g/mol, XLogP of 8.39, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane is sourced from PubChem (CID 58535586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).