2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene

C35H25F7O — CID 59329977

About 2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene

2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene (PubChem CID 59329977) has the molecular formula C35H25F7O and a molecular weight of 594.57 g/mol. Its IUPAC name is 2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene.

Molecular Properties

• Compound Name: 2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene
• PubChem CID: 59329977
• Molecular Formula: C35H25F7O
• Molecular Weight: 594.57 g/mol
• Exact Mass: 594.18
• IUPAC Name: 2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene
• SMILES: CCCc1cc(F)c(C(F)(F)Oc2ccc(-c3ccc(-c4ccc(-c5ccc(C)c(F)c5)c(F)c4)c(F)c3)cc2)c(F)c1
• InChI: InChI=1S/C35H25F7O/c1-3-4-21-15-32(39)34(33(40)16-21)35(41,42)43-26-11-7-22(8-12-26)23-9-13-27(30(37)17-23)25-10-14-28(31(38)19-25)24-6-5-20(2)29(36)18-24/h5-19H,3-4H2,1-2H3
• InChIKey: QJNOLRUGBPNKJQ-UHFFFAOYSA-N
• XLogP: 10.77
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.57
LogP ≤ 5	10.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene?

The IUPAC name of 2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene (CID 59329977) is 2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene.

What is the SMILES notation for 2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene?

The canonical SMILES for 2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene is CCCc1cc(F)c(C(F)(F)Oc2ccc(-c3ccc(-c4ccc(-c5ccc(C)c(F)c5)c(F)c4)c(F)c3)cc2)c(F)c1.

What is the InChIKey of 2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene?

The InChIKey is QJNOLRUGBPNKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25F7O/c1-3-4-21-15-32(39)34(33(40)16-21)35(41,42)43-26-11-7-22(8-12-26)23-9-13-27(30(37)17-23)25-10-14-28(31(38)19-25)24-6-5-20(2)29(36)18-24/h5-19H,3-4H2,1-2H3.

What are the key properties of 2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene?

2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene has a molecular weight of 594.57 g/mol, XLogP of 10.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(3-fluoro-4-methylphenyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-propylbenzene is sourced from PubChem (CID 59329977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).