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

C154H83F57O9S6 — CID 160913792

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

2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-ethylphenyl)thiophene;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene (PubChem CID 160913792) has the molecular formula C154H83F57O9S6 and a molecular weight of 3352.64 g/mol. Its IUPAC name is 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-ethylphenyl)thiophene;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene.

Molecular Properties

• Compound Name: 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-ethylphenyl)thiophene;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene
• PubChem CID: 160913792
• Molecular Formula: C154H83F57O9S6
• Molecular Weight: 3352.64 g/mol
• Exact Mass: 3350.35
• IUPAC Name: 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-ethylphenyl)thiophene;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene
• SMILES: CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)s1.CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)s1.CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)s1.CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)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(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)s2)cc1
• InChI: InChI=1S/C26H13F11O2S.C26H13F11OS.C26H14F10O2S.C26H15F9O2S.C25H13F9OS.C25H15F7OS/c1-2-14-10-21(32)24(40-14)11-3-4-15(16(27)5-11)12-6-17(28)22(18(29)7-12)25(33,34)38-13-8-19(30)23(20(31)9-13)39-26(35,36)37;1-2-14-10-21(32)24(39-14)11-3-4-15(16(27)5-11)12-6-17(28)23(18(29)7-12)26(36,37)38-13-8-19(30)22(20(31)9-13)25(33,34)35;1-2-15-11-21(31)24(39-15)12-3-5-16(17(27)7-12)13-8-19(29)23(20(30)9-13)25(32,33)37-14-4-6-22(18(28)10-14)38-26(34,35)36;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;1-2-14-10-21(31)24(36-14)11-3-4-15(16(26)5-11)12-6-17(27)22(18(28)7-12)25(33,34)35-13-8-19(29)23(32)20(30)9-13;1-2-13-3-5-14(6-4-13)21-7-8-22(34-21)15-9-17(26)23(18(27)10-15)25(31,32)33-16-11-19(28)24(30)20(29)12-16/h3-10H,2H2,1H3;3-10H,2H2,1H3;3-11H,2H2,1H3;3-12H,2H2,1H3;3-10H,2H2,1H3;3-12H,2H2,1H3
• InChIKey: SRDDAEJBDYONQL-UHFFFAOYSA-N
• XLogP: 54.94
• TPSA: 83.07 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 39
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3352.64
LogP ≤ 5	54.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-ethylphenyl)thiophene;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene?

The IUPAC name of 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-ethylphenyl)thiophene;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene (CID 160913792) is 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-ethylphenyl)thiophene;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene.

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

The canonical SMILES for 2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-ethylphenyl)thiophene;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene is CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)s1.CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)c(F)c2)s1.CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)s1.CCc1cc(F)c(-c2ccc(-c3cc(F)c(C(F)(F)Oc4ccc(OC(F)(F)F)c(F)c4)c(F)c3)c(F)c2)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(-c3cc(F)c(C(F)(F)Oc4cc(F)c(F)c(F)c4)c(F)c3)s2)cc1.

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

The InChIKey is SRDDAEJBDYONQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H13F11O2S.C26H13F11OS.C26H14F10O2S.C26H15F9O2S.C25H13F9OS.C25H15F7OS/c1-2-14-10-21(32)24(40-14)11-3-4-15(16(27)5-11)12-6-17(28)22(18(29)7-12)25(33,34)38-13-8-19(30)23(20(31)9-13)39-26(35,36)37;1-2-14-10-21(32)24(39-14)11-3-4-15(16(27)5-11)12-6-17(28)23(18(29)7-12)26(36,37)38-13-8-19(30)22(20(31)9-13)25(33,34)35;1-2-15-11-21(31)24(39-15)12-3-5-16(17(27)7-12)13-8-19(29)23(20(30)9-13)25(32,33)37-14-4-6-22(18(28)10-14)38-26(34,35)36;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;1-2-14-10-21(31)24(36-14)11-3-4-15(16(26)5-11)12-6-17(27)22(18(28)7-12)25(33,34)35-13-8-19(29)23(32)20(30)9-13;1-2-13-3-5-14(6-4-13)21-7-8-22(34-21)15-9-17(26)23(18(27)10-15)25(31,32)33-16-11-19(28)24(30)20(29)12-16/h3-10H,2H2,1H3;3-10H,2H2,1H3;3-11H,2H2,1H3;3-12H,2H2,1H3;3-10H,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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-ethylphenyl)thiophene;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene?

2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-ethylphenyl)thiophene;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene has a molecular weight of 3352.64 g/mol, XLogP of 54.94, 39 rotatable bonds, 0 hydrogen bond donors, and 15 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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;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]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[4-[[3,5-difluoro-4-(trifluoromethyl)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene;2-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-5-(4-ethylphenyl)thiophene;2-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-ethyl-3-fluorothiophene is sourced from PubChem (CID 160913792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).