4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene

C80H60F26O10S3 — CID 158210466

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene
SMILESCc1c(C)c(C)c(S(=O)(=O)c2c(C)c(C)c(Oc3ccc(C(c4ccc(Oc5c(F)c(F)c(S(=O)(=O)c6c(C)c(C)c(C)c(C)c6C)c(F)c5F)cc4)(C(F)(F)F)C(F)(F)F)cc3)c(C)c2C)c(C)c1C.O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C53H50F10O6S2.C15H10F6O2.C12F10O2S/c1-23-25(3)31(9)47(32(10)26(23)4)70(64,65)49-35(13)29(7)45(30(8)36(49)14)68-39-19-15-37(16-20-39)51(52(58,59)60,53(61,62)63)38-17-21-40(22-18-38)69-46-41(54)43(56)50(44(57)42(46)55)71(66,67)48-33(11)27(5)24(2)28(6)34(48)12;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;13-1-3(15)7(19)11(8(20)4(1)16)25(23,24)12-9(21)5(17)2(14)6(18)10(12)22/h15-22H,1-14H3;1-8,22-23H;
InChIKeyGBZZTZKNZANKPI-UHFFFAOYSA-N
MW1771.50 g/mol
LogP23.64
Rot. Bonds14

About 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene

4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene (PubChem CID 158210466) has the molecular formula C80H60F26O10S3 and a molecular weight of 1771.50 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene
PubChem CID158210466
Molecular FormulaC80H60F26O10S3
Molecular Weight1771.50 g/mol
Exact Mass1770.29
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene
SMILESCc1c(C)c(C)c(S(=O)(=O)c2c(C)c(C)c(Oc3ccc(C(c4ccc(Oc5c(F)c(F)c(S(=O)(=O)c6c(C)c(C)c(C)c(C)c6C)c(F)c5F)cc4)(C(F)(F)F)C(F)(F)F)cc3)c(C)c2C)c(C)c1C.O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C53H50F10O6S2.C15H10F6O2.C12F10O2S/c1-23-25(3)31(9)47(32(10)26(23)4)70(64,65)49-35(13)29(7)45(30(8)36(49)14)68-39-19-15-37(16-20-39)51(52(58,59)60,53(61,62)63)38-17-21-40(22-18-38)69-46-41(54)43(56)50(44(57)42(46)55)71(66,67)48-33(11)27(5)24(2)28(6)34(48)12;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;13-1-3(15)7(19)11(8(20)4(1)16)25(23,24)12-9(21)5(17)2(14)6(18)10(12)22/h15-22H,1-14H3;1-8,22-23H;
InChIKeyGBZZTZKNZANKPI-UHFFFAOYSA-N
XLogP23.64
TPSA161.34 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001771.50
LogP ≤ 523.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene with MolForge

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Related Compounds

4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 20651921
[2,6-Dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;2,3,4,5,6-pentakis(trifluoromethyl)benzenesulfonate
CID 22057425
1-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 53787001
1-[4-[4-[4-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57616659
1-Methyl-4-[4-[4-[4-[4-[4-[4-[1,1,3,3-tetrafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]phenyl]sulfonylbenzene
CID 57616677
1-[4-[4-[2-[4-(4-Ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene
CID 57679060
1-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene
CID 57679067
1-[4-[4-[2-[4-[4-(4-Benzylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57903589
5-[[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]methyl]-2-[4-methyl-2-(trioxidanylsulfanyl)phenyl]benzenesulfonic acid
CID 57903607
1-[4-[4-[2-[4-[4-(4-Ethylphenyl)sulfonylphenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 57925324
2,2-Dimethylpropyl 2-[2-(2,2-dimethylpropoxysulfonyl)-4-[[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]methyl]phenyl]-5-methylbenzenesulfonate
CID 58027920
Sodium 1,2,4,5-tetrafluoro-3-methyl-6-[4-[1,1,1-trifluoro-2-[4-[4-[3-methyl-4-[4-[1,1,1-trifluoro-2-[4-(methoxymethyl)phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene-6-id-1-yl]oxyphenyl]propan-2-yl]phenoxy]benzene
CID 58185902

Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene (CID 158210466) is 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene is Cc1c(C)c(C)c(S(=O)(=O)c2c(C)c(C)c(Oc3ccc(C(c4ccc(Oc5c(F)c(F)c(S(=O)(=O)c6c(C)c(C)c(C)c(C)c6C)c(F)c5F)cc4)(C(F)(F)F)C(F)(F)F)cc3)c(C)c2C)c(C)c1C.O=S(=O)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene?
The InChIKey is GBZZTZKNZANKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50F10O6S2.C15H10F6O2.C12F10O2S/c1-23-25(3)31(9)47(32(10)26(23)4)70(64,65)49-35(13)29(7)45(30(8)36(49)14)68-39-19-15-37(16-20-39)51(52(58,59)60,53(61,62)63)38-17-21-40(22-18-38)69-46-41(54)43(56)50(44(57)42(46)55)71(66,67)48-33(11)27(5)24(2)28(6)34(48)12;16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;13-1-3(15)7(19)11(8(20)4(1)16)25(23,24)12-9(21)5(17)2(14)6(18)10(12)22/h15-22H,1-14H3;1-8,22-23H;.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene?
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene has a molecular weight of 1771.50 g/mol, XLogP of 23.64, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenol;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentamethylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetramethylphenyl]sulfonyl-2,3,4,5,6-pentamethylbenzene;1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)sulfonylbenzene is sourced from PubChem (CID 158210466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).