5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene

C180H140F44O8 — CID 158353997

About 5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene

5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene (PubChem CID 158353997) has the molecular formula C180H140F44O8 and a molecular weight of 3267.00 g/mol. Its IUPAC name is 5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene.

Molecular Properties

• Compound Name: 5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene
• PubChem CID: 158353997
• Molecular Formula: C180H140F44O8
• Molecular Weight: 3267.00 g/mol
• Exact Mass: 3264.98
• IUPAC Name: 5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene
• SMILES: CCCCCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1.CCCCCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCCCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1.CCCCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1.CCCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1.CCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)cc1
• InChI: InChI=1S/C24H20F6O.C24H21F5O.C23H18F6O.C23H19F5O.C22H16F6O.C22H17F5O.C21H14F6O.C21H15F5O/c1-2-3-4-5-14-6-7-17(18(25)8-14)16-11-21(28)24(22(29)12-16)31-13-15-9-19(26)23(30)20(27)10-15;1-2-3-4-5-15-6-8-17(9-7-15)18-12-21(27)24(22(28)13-18)30-14-16-10-19(25)23(29)20(26)11-16;1-2-3-4-13-5-6-16(17(24)7-13)15-10-20(27)23(21(28)11-15)30-12-14-8-18(25)22(29)19(26)9-14;1-2-3-4-14-5-7-16(8-6-14)17-11-20(26)23(21(27)12-17)29-13-15-9-18(24)22(28)19(25)10-15;1-2-3-12-4-5-15(16(23)6-12)14-9-19(26)22(20(27)10-14)29-11-13-7-17(24)21(28)18(25)8-13;1-2-3-13-4-6-15(7-5-13)16-10-19(25)22(20(26)11-16)28-12-14-8-17(23)21(27)18(24)9-14;1-2-11-3-4-14(15(22)5-11)13-8-18(25)21(19(26)9-13)28-10-12-6-16(23)20(27)17(24)7-12;1-2-12-3-5-14(6-4-12)15-9-18(24)21(19(25)10-15)27-11-13-7-16(22)20(26)17(23)8-13/h6-12H,2-5,13H2,1H3;6-13H,2-5,14H2,1H3;5-11H,2-4,12H2,1H3;5-12H,2-4,13H2,1H3;4-10H,2-3,11H2,1H3;4-11H,2-3,12H2,1H3;3-9H,2,10H2,1H3;3-10H,2,11H2,1H3
• InChIKey: GSQSTKGCQOQDQC-UHFFFAOYSA-N
• XLogP: 54.76
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 52
• Heavy Atoms: 232
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3267.00
LogP ≤ 5	54.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene?

The IUPAC name of 5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene (CID 158353997) is 5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene.

What is the SMILES notation for 5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene?

The canonical SMILES for 5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene is CCCCCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1.CCCCCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCCCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1.CCCCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1.CCCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)cc1.CCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1.CCc1ccc(-c2cc(F)c(OCc3cc(F)c(F)c(F)c3)c(F)c2)cc1.

What is the InChIKey of 5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene?

The InChIKey is GSQSTKGCQOQDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6O.C24H21F5O.C23H18F6O.C23H19F5O.C22H16F6O.C22H17F5O.C21H14F6O.C21H15F5O/c1-2-3-4-5-14-6-7-17(18(25)8-14)16-11-21(28)24(22(29)12-16)31-13-15-9-19(26)23(30)20(27)10-15;1-2-3-4-5-15-6-8-17(9-7-15)18-12-21(27)24(22(28)13-18)30-14-16-10-19(25)23(29)20(26)11-16;1-2-3-4-13-5-6-16(17(24)7-13)15-10-20(27)23(21(28)11-15)30-12-14-8-18(25)22(29)19(26)9-14;1-2-3-4-14-5-7-16(8-6-14)17-11-20(26)23(21(27)12-17)29-13-15-9-18(24)22(28)19(25)10-15;1-2-3-12-4-5-15(16(23)6-12)14-9-19(26)22(20(27)10-14)29-11-13-7-17(24)21(28)18(25)8-13;1-2-3-13-4-6-15(7-5-13)16-10-19(25)22(20(26)11-16)28-12-14-8-17(23)21(27)18(24)9-14;1-2-11-3-4-14(15(22)5-11)13-8-18(25)21(19(26)9-13)28-10-12-6-16(23)20(27)17(24)7-12;1-2-12-3-5-14(6-4-12)15-9-18(24)21(19(25)10-15)27-11-13-7-16(22)20(26)17(23)8-13/h6-12H,2-5,13H2,1H3;6-13H,2-5,14H2,1H3;5-11H,2-4,12H2,1H3;5-12H,2-4,13H2,1H3;4-10H,2-3,11H2,1H3;4-11H,2-3,12H2,1H3;3-9H,2,10H2,1H3;3-10H,2,11H2,1H3.

What are the key properties of 5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene?

5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene has a molecular weight of 3267.00 g/mol, XLogP of 54.76, 52 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-butyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-butylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(2-fluoro-4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-pentylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;1,3-difluoro-5-(4-propylphenyl)-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethyl-2-fluorophenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene;5-(4-ethylphenyl)-1,3-difluoro-2-[(3,4,5-trifluorophenyl)methoxy]benzene is sourced from PubChem (CID 158353997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).