(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene

C56H28F22O7S — CID 123343272

IUPAC(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene
SMILESCOc1ccc(C(=O)c2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(C)c(F)c4F)c(F)c3F)cc2)cc1.COc1ccc(C(c2ccc(Oc3c(F)c(F)c(S(=O)(=O)c4c(F)c(F)c(C)c(F)c4F)c(F)c3F)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C29H14F14O4S.C27H14F8O3/c1-11-16(30)20(34)25(21(35)17(11)31)48(44,45)26-22(36)18(32)24(19(33)23(26)37)47-15-9-5-13(6-10-15)27(28(38,39)40,29(41,42)43)12-3-7-14(46-2)8-4-12;1-11-18(28)20(30)16(21(31)19(11)29)17-22(32)24(34)27(25(35)23(17)33)38-15-9-5-13(6-10-15)26(36)12-3-7-14(37-2)8-4-12/h3-10H,1-2H3;3-10H,1-2H3
InChIKeyKJYCPEXNPKBGLP-UHFFFAOYSA-N
MW1262.86 g/mol
LogP16.96
Rot. Bonds13

About (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene

(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene (PubChem CID 123343272) has the molecular formula C56H28F22O7S and a molecular weight of 1262.86 g/mol. Its IUPAC name is (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene.

Molecular Properties

Compound Name(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene
PubChem CID123343272
Molecular FormulaC56H28F22O7S
Molecular Weight1262.86 g/mol
Exact Mass1262.12
IUPAC Name(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene
SMILESCOc1ccc(C(=O)c2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(C)c(F)c4F)c(F)c3F)cc2)cc1.COc1ccc(C(c2ccc(Oc3c(F)c(F)c(S(=O)(=O)c4c(F)c(F)c(C)c(F)c4F)c(F)c3F)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C29H14F14O4S.C27H14F8O3/c1-11-16(30)20(34)25(21(35)17(11)31)48(44,45)26-22(36)18(32)24(19(33)23(26)37)47-15-9-5-13(6-10-15)27(28(38,39)40,29(41,42)43)12-3-7-14(46-2)8-4-12;1-11-18(28)20(30)16(21(31)19(11)29)17-22(32)24(34)27(25(35)23(17)33)38-15-9-5-13(6-10-15)26(36)12-3-7-14(37-2)8-4-12/h3-10H,1-2H3;3-10H,1-2H3
InChIKeyKJYCPEXNPKBGLP-UHFFFAOYSA-N
XLogP16.96
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001262.86
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene with MolForge

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Related Compounds

4,4-Bis(benzenesulfonyl)-4-fluoro-1-(4-methoxyphenyl)-3-phenylbutan-1-one
CID 135060809
3-[4-(Benzyloxy)phenyl]-1-(4-fluorophenyl)-3-(phenylsulfonyl)propan-1-one
CID 2884294
(2,3,5,6-Tetrafluoro-4-methylphenyl)-[4-[4-[2,3,5,6-tetrafluoro-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]methanone
CID 20747717
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 21026467
[[4-[2-[[4-[Difluoro(phosphono)methyl]phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)-2-(4-methylsulfonylphenyl)-3-oxopropyl]phenyl]-difluoromethyl]phosphonic acid
CID 21265704
2-(Benzenesulfonyl)-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1-(4-methoxyphenyl)ethanone
CID 22639168
[4-[4-[2,3,5,6-Tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone
CID 23525997
[4-[4-[2,3,5,6-Tetrafluoro-4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]benzoyl]phenoxy]phenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)methanone
CID 23525999
1-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 23557757
1-Ethenyl-4-[4-[2-[4-[4-[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-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorobenzene
CID 23575469
[4-[4-[2-Fluoro-4-(8-prop-2-enoyloxyoctoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-methylbenzoate
CID 57528075
[4-[4-[2-Fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoyl]oxyphenyl]sulfonylphenyl] 2-fluoro-4-methylbenzoate
CID 57560421

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene?
The IUPAC name of (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene (CID 123343272) is (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene.
What is the SMILES notation for (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene?
The canonical SMILES for (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene is COc1ccc(C(=O)c2ccc(Oc3c(F)c(F)c(-c4c(F)c(F)c(C)c(F)c4F)c(F)c3F)cc2)cc1.COc1ccc(C(c2ccc(Oc3c(F)c(F)c(S(=O)(=O)c4c(F)c(F)c(C)c(F)c4F)c(F)c3F)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene?
The InChIKey is KJYCPEXNPKBGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H14F14O4S.C27H14F8O3/c1-11-16(30)20(34)25(21(35)17(11)31)48(44,45)26-22(36)18(32)24(19(33)23(26)37)47-15-9-5-13(6-10-15)27(28(38,39)40,29(41,42)43)12-3-7-14(46-2)8-4-12;1-11-18(28)20(30)16(21(31)19(11)29)17-22(32)24(34)27(25(35)23(17)33)38-15-9-5-13(6-10-15)26(36)12-3-7-14(37-2)8-4-12/h3-10H,1-2H3;3-10H,1-2H3.
What are the key properties of (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene?
(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene has a molecular weight of 1262.86 g/mol, XLogP of 16.96, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone;1,2,4,5-tetrafluoro-3-methyl-6-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene is sourced from PubChem (CID 123343272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).