5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane

C29H36F4O3 — CID 58535308

About 5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane

5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane (PubChem CID 58535308) has the molecular formula C29H36F4O3 and a molecular weight of 508.60 g/mol. Its IUPAC name is 5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane.

Molecular Properties

• Compound Name: 5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane
• PubChem CID: 58535308
• Molecular Formula: C29H36F4O3
• Molecular Weight: 508.60 g/mol
• Exact Mass: 508.26
• IUPAC Name: 5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane
• SMILES: CCCC1CCC(c2ccc(-c3ccc(CCC4CCC(OCC)OC4)c(F)c3F)c(F)c2F)CO1
• InChI: InChI=1S/C29H36F4O3/c1-3-5-21-11-9-20(17-35-21)22-13-14-24(29(33)27(22)31)23-12-10-19(26(30)28(23)32)8-6-18-7-15-25(34-4-2)36-16-18/h10,12-14,18,20-21,25H,3-9,11,15-17H2,1-2H3
• InChIKey: FAKWAZKWFDPMAZ-UHFFFAOYSA-N
• XLogP: 7.69
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.60
LogP ≤ 5	7.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane?

The IUPAC name of 5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane (CID 58535308) is 5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane.

What is the SMILES notation for 5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane?

The canonical SMILES for 5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane is CCCC1CCC(c2ccc(-c3ccc(CCC4CCC(OCC)OC4)c(F)c3F)c(F)c2F)CO1.

What is the InChIKey of 5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane?

The InChIKey is FAKWAZKWFDPMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F4O3/c1-3-5-21-11-9-20(17-35-21)22-13-14-24(29(33)27(22)31)23-12-10-19(26(30)28(23)32)8-6-18-7-15-25(34-4-2)36-16-18/h10,12-14,18,20-21,25H,3-9,11,15-17H2,1-2H3.

What are the key properties of 5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane?

5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane has a molecular weight of 508.60 g/mol, XLogP of 7.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[2,3-difluoro-4-(6-propyloxan-3-yl)phenyl]-2,3-difluorophenyl]ethyl]-2-ethoxyoxane is sourced from PubChem (CID 58535308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).