2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate

C155H166F14O35S10 — CID 158055915

IUPAC2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate
SMILESCC(C)(C)c1ccc([S+](c2ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc2)c2cccc(C3(C)OCC(F)(F)CO3)c2)cc1.CC(C)(C)c1ccc([S+](c2ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc2)c2cccc(C3(C)OCCCO3)c2)cc1.CC(C)C1OC(C)(c2cccc([S+](c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)c2)OCC1(C)C.CC(C)C1OC(C)(c2cccc([S+](c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)c2)OCC1(F)F.CC1(C)COC(C)(c2cccc([S+](c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)c2)OC1
InChIInChI=1S/C34H40F2O7S2.C32H34F4O7S2.C31H34F2O7S2.C29H28F4O7S2.C29H30F2O7S2/c1-22(2)29-32(6,7)21-41-33(8,43-29)24-10-9-11-28(20-24)44(26-16-12-23(13-17-26)31(3,4)5)27-18-14-25(15-19-27)42-30(37)34(35,36)45(38,39)40;1-20(2)27-31(33,34)19-41-30(6,43-27)22-8-7-9-26(18-22)44(24-14-10-21(11-15-24)29(3,4)5)25-16-12-23(13-17-25)42-28(37)32(35,36)45(38,39)40;1-28(2,3)21-10-14-24(15-11-21)41(25-16-12-23(13-17-25)40-27(34)31(32,33)42(35,36)37)26-9-7-8-22(18-26)30(6)38-19-29(4,5)20-39-30;1-26(2,3)19-8-12-22(13-9-19)41(23-14-10-21(11-15-23)40-25(34)29(32,33)42(35,36)37)24-7-5-6-20(16-24)27(4)38-17-28(30,31)18-39-27;1-27(2,3)20-9-13-23(14-10-20)39(25-8-5-7-21(19-25)28(4)36-17-6-18-37-28)24-15-11-22(12-16-24)38-26(32)29(30,31)40(33,34)35/h9-20,22,29H,21H2,1-8H3;7-18,20,27H,19H2,1-6H3;7-18H,19-20H2,1-6H3;5-16H,17-18H2,1-4H3;5,7-16,19H,6,17-18H2,1-4H3
InChIKeyFKAYWQHHWXMAQL-UHFFFAOYSA-N
MW3175.64 g/mol
LogP32.47
Rot. Bonds37

About 2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate

2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate (PubChem CID 158055915) has the molecular formula C155H166F14O35S10 and a molecular weight of 3175.64 g/mol. Its IUPAC name is 2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate.

Molecular Properties

Compound Name2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate
PubChem CID158055915
Molecular FormulaC155H166F14O35S10
Molecular Weight3175.64 g/mol
Exact Mass3172.82
IUPAC Name2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate
SMILESCC(C)(C)c1ccc([S+](c2ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc2)c2cccc(C3(C)OCC(F)(F)CO3)c2)cc1.CC(C)(C)c1ccc([S+](c2ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc2)c2cccc(C3(C)OCCCO3)c2)cc1.CC(C)C1OC(C)(c2cccc([S+](c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)c2)OCC1(C)C.CC(C)C1OC(C)(c2cccc([S+](c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)c2)OCC1(F)F.CC1(C)COC(C)(c2cccc([S+](c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)c2)OC1
InChIInChI=1S/C34H40F2O7S2.C32H34F4O7S2.C31H34F2O7S2.C29H28F4O7S2.C29H30F2O7S2/c1-22(2)29-32(6,7)21-41-33(8,43-29)24-10-9-11-28(20-24)44(26-16-12-23(13-17-26)31(3,4)5)27-18-14-25(15-19-27)42-30(37)34(35,36)45(38,39)40;1-20(2)27-31(33,34)19-41-30(6,43-27)22-8-7-9-26(18-22)44(24-14-10-21(11-15-24)29(3,4)5)25-16-12-23(13-17-25)42-28(37)32(35,36)45(38,39)40;1-28(2,3)21-10-14-24(15-11-21)41(25-16-12-23(13-17-25)40-27(34)31(32,33)42(35,36)37)26-9-7-8-22(18-26)30(6)38-19-29(4,5)20-39-30;1-26(2,3)19-8-12-22(13-9-19)41(23-14-10-21(11-15-23)40-25(34)29(32,33)42(35,36)37)24-7-5-6-20(16-24)27(4)38-17-28(30,31)18-39-27;1-27(2,3)20-9-13-23(14-10-20)39(25-8-5-7-21(19-25)28(4)36-17-6-18-37-28)24-15-11-22(12-16-24)38-26(32)29(30,31)40(33,34)35/h9-20,22,29H,21H2,1-8H3;7-18,20,27H,19H2,1-6H3;7-18H,19-20H2,1-6H3;5-16H,17-18H2,1-4H3;5,7-16,19H,6,17-18H2,1-4H3
InChIKeyFKAYWQHHWXMAQL-UHFFFAOYSA-N
XLogP32.47
TPSA509.80 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds37
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003175.64
LogP ≤ 532.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze 2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate?
The IUPAC name of 2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate (CID 158055915) is 2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate.
What is the SMILES notation for 2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate?
The canonical SMILES for 2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate is CC(C)(C)c1ccc([S+](c2ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc2)c2cccc(C3(C)OCC(F)(F)CO3)c2)cc1.CC(C)(C)c1ccc([S+](c2ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc2)c2cccc(C3(C)OCCCO3)c2)cc1.CC(C)C1OC(C)(c2cccc([S+](c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)c2)OCC1(C)C.CC(C)C1OC(C)(c2cccc([S+](c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)c2)OCC1(F)F.CC1(C)COC(C)(c2cccc([S+](c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)c2)OC1.
What is the InChIKey of 2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate?
The InChIKey is FKAYWQHHWXMAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40F2O7S2.C32H34F4O7S2.C31H34F2O7S2.C29H28F4O7S2.C29H30F2O7S2/c1-22(2)29-32(6,7)21-41-33(8,43-29)24-10-9-11-28(20-24)44(26-16-12-23(13-17-26)31(3,4)5)27-18-14-25(15-19-27)42-30(37)34(35,36)45(38,39)40;1-20(2)27-31(33,34)19-41-30(6,43-27)22-8-7-9-26(18-22)44(24-14-10-21(11-15-24)29(3,4)5)25-16-12-23(13-17-25)42-28(37)32(35,36)45(38,39)40;1-28(2,3)21-10-14-24(15-11-21)41(25-16-12-23(13-17-25)40-27(34)31(32,33)42(35,36)37)26-9-7-8-22(18-26)30(6)38-19-29(4,5)20-39-30;1-26(2,3)19-8-12-22(13-9-19)41(23-14-10-21(11-15-23)40-25(34)29(32,33)42(35,36)37)24-7-5-6-20(16-24)27(4)38-17-28(30,31)18-39-27;1-27(2,3)20-9-13-23(14-10-20)39(25-8-5-7-21(19-25)28(4)36-17-6-18-37-28)24-15-11-22(12-16-24)38-26(32)29(30,31)40(33,34)35/h9-20,22,29H,21H2,1-8H3;7-18,20,27H,19H2,1-6H3;7-18H,19-20H2,1-6H3;5-16H,17-18H2,1-4H3;5,7-16,19H,6,17-18H2,1-4H3.
What are the key properties of 2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate?
2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate has a molecular weight of 3175.64 g/mol, XLogP of 32.47, 37 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(5,5-difluoro-2-methyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2-methyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[4-[(4-tert-butylphenyl)-[3-(2,5,5-trimethyl-4-propan-2-yl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate is sourced from PubChem (CID 158055915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).