2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid

C143H196F28O23S5 — CID 161143573

About 2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid

2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid (PubChem CID 161143573) has the molecular formula C143H196F28O23S5 and a molecular weight of 2975.40 g/mol. Its IUPAC name is 2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid.

Molecular Properties

• Compound Name: 2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid
• PubChem CID: 161143573
• Molecular Formula: C143H196F28O23S5
• Molecular Weight: 2975.40 g/mol
• Exact Mass: 2973.23
• IUPAC Name: 2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid
• SMILES: O=C(c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)O.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)COCc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)COCc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)COCc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)COCc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
• InChI: InChI=1S/C30H36F10O6S.C29H40F6O5S.C29H40F6O4S.C28H40F4O4S.C27H40F2O4S/c31-26(32,45-27(33,34)28(35,36)46-29(37,38)30(39,40)47(42,43)44)25(41)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;30-27(31,40-28(32,33)29(34,35)41(36,37)38)19-39-18-26-24(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-25(26)22-14-8-3-9-15-22;30-27(31,28(32,33)29(34,35)40(36,37)38)19-39-18-26-24(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-25(26)22-14-8-3-9-15-22;29-27(30,28(31,32)37(33,34)35)19-36-18-26-24(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-25(26)22-14-8-3-9-15-22;28-27(29,34(30,31)32)19-33-18-26-24(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-25(26)22-14-8-3-9-15-22/h16-20H,1-15H2,(H,42,43,44);16-17,20-22H,1-15,18-19H2,(H,36,37,38);16-17,20-22H,1-15,18-19H2,(H,36,37,38);16-17,20-22H,1-15,18-19H2,(H,33,34,35);16-17,20-22H,1-15,18-19H2,(H,30,31,32)
• InChIKey: UNTMZIQNQTWMLB-UHFFFAOYSA-N
• XLogP: 44.31
• TPSA: 353.53 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 50
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2975.40
LogP ≤ 5	44.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid?

The IUPAC name of 2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid (CID 161143573) is 2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid.

What is the SMILES notation for 2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid?

The canonical SMILES for 2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid is O=C(c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)S(=O)(=O)O.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)COCc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)COCc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(F)COCc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)(O)C(F)(F)COCc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.

What is the InChIKey of 2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid?

The InChIKey is UNTMZIQNQTWMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F10O6S.C29H40F6O5S.C29H40F6O4S.C28H40F4O4S.C27H40F2O4S/c31-26(32,45-27(33,34)28(35,36)46-29(37,38)30(39,40)47(42,43)44)25(41)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;30-27(31,40-28(32,33)29(34,35)41(36,37)38)19-39-18-26-24(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-25(26)22-14-8-3-9-15-22;30-27(31,28(32,33)29(34,35)40(36,37)38)19-39-18-26-24(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-25(26)22-14-8-3-9-15-22;29-27(30,28(31,32)37(33,34)35)19-36-18-26-24(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-25(26)22-14-8-3-9-15-22;28-27(29,34(30,31)32)19-33-18-26-24(21-12-6-2-7-13-21)16-23(20-10-4-1-5-11-20)17-25(26)22-14-8-3-9-15-22/h16-20H,1-15H2,(H,42,43,44);16-17,20-22H,1-15,18-19H2,(H,36,37,38);16-17,20-22H,1-15,18-19H2,(H,36,37,38);16-17,20-22H,1-15,18-19H2,(H,33,34,35);16-17,20-22H,1-15,18-19H2,(H,30,31,32).

What are the key properties of 2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid?

2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid has a molecular weight of 2975.40 g/mol, XLogP of 44.31, 50 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1,1-difluoro-2-oxo-2-(2,4,6-tricyclohexylphenyl)ethoxy]-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethanesulfonic acid;2-[1,1-difluoro-2-[(2,4,6-tricyclohexylphenyl)methoxy]ethoxy]-1,1,2,2-tetrafluoroethanesulfonic acid;1,1,2,2,3,3-hexafluoro-4-[(2,4,6-tricyclohexylphenyl)methoxy]butane-1-sulfonic acid;1,1,2,2-tetrafluoro-3-[(2,4,6-tricyclohexylphenyl)methoxy]propane-1-sulfonic acid is sourced from PubChem (CID 161143573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).