2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol

C69H25F35O13S2 — CID 59180615

About 2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol

2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol (PubChem CID 59180615) has the molecular formula C69H25F35O13S2 and a molecular weight of 1791.01 g/mol. Its IUPAC name is 2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol.

Molecular Properties

• Compound Name: 2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol
• PubChem CID: 59180615
• Molecular Formula: C69H25F35O13S2
• Molecular Weight: 1791.01 g/mol
• Exact Mass: 1790.02
• IUPAC Name: 2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol
• SMILES: COCOc1c(F)c(F)c(-c2c(F)c(F)c(Oc3c(F)c(O)c(S(=O)(=O)c4c(F)c(F)c(C)c(F)c4F)c(Oc4ccc(C(c5ccc(Oc6c(F)c(Oc7c(F)c(F)c(-c8c(F)c(F)c(OCOC)c(F)c8F)c(F)c7F)c(F)c(F)c6S(=O)(=O)c6c(F)c(F)c(C)c(F)c6F)cc5)(C(F)(F)F)C(F)(F)F)cc4)c3F)c(F)c2F)c(F)c1F
• InChI: InChI=1S/C69H25F35O13S2/c1-15-25(70)46(91)63(47(92)26(15)71)118(106,107)65-50(95)45(90)59(116-57-41(86)33(78)23(34(79)42(57)87)21-29(74)37(82)55(112-13-110-3)38(83)30(21)75)52(97)61(65)114-19-9-5-17(6-10-19)67(68(99,100)101,69(102,103)104)18-7-11-20(12-8-18)115-62-53(98)60(51(96)54(105)66(62)119(108,109)64-48(93)27(72)16(2)28(73)49(64)94)117-58-43(88)35(80)24(36(81)44(58)89)22-31(76)39(84)56(113-14-111-4)40(85)32(22)77/h5-12,105H,13-14H2,1-4H3
• InChIKey: NMUQBWGDGOOHHE-UHFFFAOYSA-N
• XLogP: 21.59
• TPSA: 162.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 22
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1791.01
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol?

The IUPAC name of 2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol (CID 59180615) is 2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol.

What is the SMILES notation for 2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol?

The canonical SMILES for 2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol is COCOc1c(F)c(F)c(-c2c(F)c(F)c(Oc3c(F)c(O)c(S(=O)(=O)c4c(F)c(F)c(C)c(F)c4F)c(Oc4ccc(C(c5ccc(Oc6c(F)c(Oc7c(F)c(F)c(-c8c(F)c(F)c(OCOC)c(F)c8F)c(F)c7F)c(F)c(F)c6S(=O)(=O)c6c(F)c(F)c(C)c(F)c6F)cc5)(C(F)(F)F)C(F)(F)F)cc4)c3F)c(F)c2F)c(F)c1F.

What is the InChIKey of 2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol?

The InChIKey is NMUQBWGDGOOHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H25F35O13S2/c1-15-25(70)46(91)63(47(92)26(15)71)118(106,107)65-50(95)45(90)59(116-57-41(86)33(78)23(34(79)42(57)87)21-29(74)37(82)55(112-13-110-3)38(83)30(21)75)52(97)61(65)114-19-9-5-17(6-10-19)67(68(99,100)101,69(102,103)104)18-7-11-20(12-8-18)115-62-53(98)60(51(96)54(105)66(62)119(108,109)64-48(93)27(72)16(2)28(73)49(64)94)117-58-43(88)35(80)24(36(81)44(58)89)22-31(76)39(84)56(113-14-111-4)40(85)32(22)77/h5-12,105H,13-14H2,1-4H3.

What are the key properties of 2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol?

2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol has a molecular weight of 1791.01 g/mol, XLogP of 21.59, 22 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-5-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,4,5-trifluoro-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenoxy]phenyl]propan-2-yl]phenoxy]-6-(2,3,5,6-tetrafluoro-4-methylphenyl)sulfonyl-3-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(methoxymethoxy)phenyl]phenoxy]phenol is sourced from PubChem (CID 59180615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).