2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene

C140H78F46O7S5 — CID 158644603

About 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene

2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene (PubChem CID 158644603) has the molecular formula C140H78F46O7S5 and a molecular weight of 2906.40 g/mol. Its IUPAC name is 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene.

Molecular Properties

• Compound Name: 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene
• PubChem CID: 158644603
• Molecular Formula: C140H78F46O7S5
• Molecular Weight: 2906.40 g/mol
• Exact Mass: 2904.36
• IUPAC Name: 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene
• SMILES: CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)cc2)s1.CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)cc2)s1.CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(OC(F)(F)F)c(F)c4)c(F)c3)cc2)s1.CCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(F)c2)s1.CCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)cc2)s1
• InChI: InChI=1S/C31H17F9OS.C31H18F8OS.C26H14F10O2S.C26H14F10OS.C26H15F9O2S/c1-2-19-5-8-28(42-19)16-4-7-20(23(33)10-16)15-3-6-21(22(32)9-15)17-11-24(34)29(25(35)12-17)31(39,40)41-18-13-26(36)30(38)27(37)14-18;1-2-21-8-10-28(41-21)17-5-3-16(4-6-17)18-7-9-22(23(32)11-18)19-12-24(33)29(25(34)13-19)31(38,39)40-20-14-26(35)30(37)27(36)15-20;1-2-16-11-21(31)24(39-16)13-5-3-12(4-6-13)14-7-17(27)22(18(28)8-14)25(32,33)37-15-9-19(29)23(20(30)10-15)38-26(34,35)36;1-2-16-11-21(31)24(38-16)13-5-3-12(4-6-13)14-7-17(27)23(18(28)8-14)26(35,36)37-15-9-19(29)22(20(30)10-15)25(32,33)34;1-2-17-12-21(30)24(38-17)14-5-3-13(4-6-14)15-9-19(28)23(20(29)10-15)25(31,32)36-16-7-8-22(18(27)11-16)37-26(33,34)35/h3-14H,2H2,1H3;3-15H,2H2,1H3;3-11H,2H2,1H3;3-11H,2H2,1H3;3-12H,2H2,1H3
• InChIKey: IAURSISJFMMQLE-UHFFFAOYSA-N
• XLogP: 48.77
• TPSA: 64.61 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 34
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2906.40
LogP ≤ 5	48.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene?

The IUPAC name of 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene (CID 158644603) is 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene.

What is the SMILES notation for 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene?

The canonical SMILES for 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene is CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)cc2)s1.CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)cc2)s1.CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(OC(F)(F)F)c(F)c4)c(F)c3)cc2)s1.CCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)c(F)c2)s1.CCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5cc(F)c(F)c(F)c5)c(F)c4)c(F)c3)cc2)s1.

What is the InChIKey of 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene?

The InChIKey is IAURSISJFMMQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17F9OS.C31H18F8OS.C26H14F10O2S.C26H14F10OS.C26H15F9O2S/c1-2-19-5-8-28(42-19)16-4-7-20(23(33)10-16)15-3-6-21(22(32)9-15)17-11-24(34)29(25(35)12-17)31(39,40)41-18-13-26(36)30(38)27(37)14-18;1-2-21-8-10-28(41-21)17-5-3-16(4-6-17)18-7-9-22(23(32)11-18)19-12-24(33)29(25(34)13-19)31(38,39)40-20-14-26(35)30(37)27(36)15-20;1-2-16-11-21(31)24(39-16)13-5-3-12(4-6-13)14-7-17(27)22(18(28)8-14)25(32,33)37-15-9-19(29)23(20(30)10-15)38-26(34,35)36;1-2-16-11-21(31)24(38-16)13-5-3-12(4-6-13)14-7-17(27)23(18(28)8-14)26(35,36)37-15-9-19(29)22(20(30)10-15)25(32,33)34;1-2-17-12-21(30)24(38-17)14-5-3-13(4-6-14)15-9-19(28)23(20(29)10-15)25(31,32)36-16-7-8-22(18(27)11-16)37-26(33,34)35/h3-14H,2H2,1H3;3-15H,2H2,1H3;3-11H,2H2,1H3;3-11H,2H2,1H3;3-12H,2H2,1H3.

What are the key properties of 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene?

2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene has a molecular weight of 2906.40 g/mol, XLogP of 48.77, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]phenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-3-fluorophenyl]-5-ethylthiophene;2-[4-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]phenyl]-5-ethylthiophene is sourced from PubChem (CID 158644603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).