2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate

C159H139F23O42S12 — CID 158027795

IUPAC2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate
SMILESCC(C)C1OC(C)(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCC1(F)F.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCC(C)(C(F)(F)F)CO1.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCC(F)(F)C(F)(F)CO1.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCC(F)(F)CO1.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCCCCCO1.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCCCCO1
InChIInChI=1S/C28H26F4O7S2.C27H23F5O7S2.C27H26F2O7S2.C26H20F6O7S2.C26H24F2O7S2.C25H20F4O7S2/c1-18(2)24-27(29,30)17-37-26(3,39-24)19-9-13-22(14-10-19)40(21-7-5-4-6-8-21)23-15-11-20(12-16-23)38-25(33)28(31,32)41(34,35)36;1-24(27(30,31)32)16-37-25(2,38-17-24)18-8-12-21(13-9-18)40(20-6-4-3-5-7-20)22-14-10-19(11-15-22)39-23(33)26(28,29)41(34,35)36;1-26(34-18-6-3-7-19-35-26)20-10-14-23(15-11-20)37(22-8-4-2-5-9-22)24-16-12-21(13-17-24)36-25(30)27(28,29)38(31,32)33;1-23(37-15-24(27,28)25(29,30)16-38-23)17-7-11-20(12-8-17)40(19-5-3-2-4-6-19)21-13-9-18(10-14-21)39-22(33)26(31,32)41(34,35)36;1-25(33-17-5-6-18-34-25)19-9-13-22(14-10-19)36(21-7-3-2-4-8-21)23-15-11-20(12-16-23)35-24(29)26(27,28)37(30,31)32;1-23(34-15-24(26,27)16-35-23)17-7-11-20(12-8-17)37(19-5-3-2-4-6-19)21-13-9-18(10-14-21)36-22(30)25(28,29)38(31,32)33/h4-16,18,24H,17H2,1-3H3;3-15H,16-17H2,1-2H3;2,4-5,8-17H,3,6-7,18-19H2,1H3;2-14H,15-16H2,1H3;2-4,7-16H,5-6,17-18H2,1H3;2-14H,15-16H2,1H3
InChIKeyFGUPEXGIKJPSFP-UHFFFAOYSA-N
MW3543.58 g/mol
LogP31.35
Rot. Bonds43

About 2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate

2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate (PubChem CID 158027795) has the molecular formula C159H139F23O42S12 and a molecular weight of 3543.58 g/mol. Its IUPAC name is 2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate.

Molecular Properties

Compound Name2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate
PubChem CID158027795
Molecular FormulaC159H139F23O42S12
Molecular Weight3543.58 g/mol
Exact Mass3540.50
IUPAC Name2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate
SMILESCC(C)C1OC(C)(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCC1(F)F.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCC(C)(C(F)(F)F)CO1.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCC(F)(F)C(F)(F)CO1.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCC(F)(F)CO1.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCCCCCO1.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCCCCO1
InChIInChI=1S/C28H26F4O7S2.C27H23F5O7S2.C27H26F2O7S2.C26H20F6O7S2.C26H24F2O7S2.C25H20F4O7S2/c1-18(2)24-27(29,30)17-37-26(3,39-24)19-9-13-22(14-10-19)40(21-7-5-4-6-8-21)23-15-11-20(12-16-23)38-25(33)28(31,32)41(34,35)36;1-24(27(30,31)32)16-37-25(2,38-17-24)18-8-12-21(13-9-18)40(20-6-4-3-5-7-20)22-14-10-19(11-15-22)39-23(33)26(28,29)41(34,35)36;1-26(34-18-6-3-7-19-35-26)20-10-14-23(15-11-20)37(22-8-4-2-5-9-22)24-16-12-21(13-17-24)36-25(30)27(28,29)38(31,32)33;1-23(37-15-24(27,28)25(29,30)16-38-23)17-7-11-20(12-8-17)40(19-5-3-2-4-6-19)21-13-9-18(10-14-21)39-22(33)26(31,32)41(34,35)36;1-25(33-17-5-6-18-34-25)19-9-13-22(14-10-19)36(21-7-3-2-4-8-21)23-15-11-20(12-16-23)35-24(29)26(27,28)37(30,31)32;1-23(34-15-24(26,27)16-35-23)17-7-11-20(12-8-17)37(19-5-3-2-4-6-19)21-13-9-18(10-14-21)36-22(30)25(28,29)38(31,32)33/h4-16,18,24H,17H2,1-3H3;3-15H,16-17H2,1-2H3;2,4-5,8-17H,3,6-7,18-19H2,1H3;2-14H,15-16H2,1H3;2-4,7-16H,5-6,17-18H2,1H3;2-14H,15-16H2,1H3
InChIKeyFGUPEXGIKJPSFP-UHFFFAOYSA-N
XLogP31.35
TPSA611.76 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds43
Heavy Atoms236
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003543.58
LogP ≤ 531.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate?
The IUPAC name of 2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate (CID 158027795) is 2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate.
What is the SMILES notation for 2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate?
The canonical SMILES for 2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate is CC(C)C1OC(C)(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCC1(F)F.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCC(C)(C(F)(F)F)CO1.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCC(F)(F)C(F)(F)CO1.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCC(F)(F)CO1.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCCCCCO1.CC1(c2ccc([S+](c3ccccc3)c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)cc2)OCCCCO1.
What is the InChIKey of 2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate?
The InChIKey is FGUPEXGIKJPSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F4O7S2.C27H23F5O7S2.C27H26F2O7S2.C26H20F6O7S2.C26H24F2O7S2.C25H20F4O7S2/c1-18(2)24-27(29,30)17-37-26(3,39-24)19-9-13-22(14-10-19)40(21-7-5-4-6-8-21)23-15-11-20(12-16-23)38-25(33)28(31,32)41(34,35)36;1-24(27(30,31)32)16-37-25(2,38-17-24)18-8-12-21(13-9-18)40(20-6-4-3-5-7-20)22-14-10-19(11-15-22)39-23(33)26(28,29)41(34,35)36;1-26(34-18-6-3-7-19-35-26)20-10-14-23(15-11-20)37(22-8-4-2-5-9-22)24-16-12-21(13-17-24)36-25(30)27(28,29)38(31,32)33;1-23(37-15-24(27,28)25(29,30)16-38-23)17-7-11-20(12-8-17)40(19-5-3-2-4-6-19)21-13-9-18(10-14-21)39-22(33)26(31,32)41(34,35)36;1-25(33-17-5-6-18-34-25)19-9-13-22(14-10-19)36(21-7-3-2-4-8-21)23-15-11-20(12-16-23)35-24(29)26(27,28)37(30,31)32;1-23(34-15-24(26,27)16-35-23)17-7-11-20(12-8-17)37(19-5-3-2-4-6-19)21-13-9-18(10-14-21)36-22(30)25(28,29)38(31,32)33/h4-16,18,24H,17H2,1-3H3;3-15H,16-17H2,1-2H3;2,4-5,8-17H,3,6-7,18-19H2,1H3;2-14H,15-16H2,1H3;2-4,7-16H,5-6,17-18H2,1H3;2-14H,15-16H2,1H3.
What are the key properties of 2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate?
2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate has a molecular weight of 3543.58 g/mol, XLogP of 31.35, 43 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxepan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-[[4-(2-methyl-1,3-dioxocan-2-yl)phenyl]-phenylsulfonio]phenoxy]-2-oxoethanesulfonate;2-[4-[[4-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[4-[phenyl-[4-(5,5,6,6-tetrafluoro-2-methyl-1,3-dioxepan-2-yl)phenyl]sulfonio]phenoxy]ethanesulfonate;2-[4-[[4-[2,5-dimethyl-5-(trifluoromethyl)-1,3-dioxan-2-yl]phenyl]-phenylsulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate is sourced from PubChem (CID 158027795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).