[2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol

C60H59F7O12S3 — CID 160528775

About [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol

[2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol (PubChem CID 160528775) has the molecular formula C60H59F7O12S3 and a molecular weight of 1201.31 g/mol. Its IUPAC name is [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol.

Molecular Properties

• Compound Name: [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol
• PubChem CID: 160528775
• Molecular Formula: C60H59F7O12S3
• Molecular Weight: 1201.31 g/mol
• Exact Mass: 1200.31
• IUPAC Name: [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol
• SMILES: CS(=O)(=O)C(F)(F)COC(=O)C1CC2CCC1C2.O=C(OCC(F)(F)S(=O)(=O)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1)C1CC2CCC1C2.O=S(=O)(C(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1
• InChI: InChI=1S/C29H28F2O5S.C20H15F3O3S.C11H16F2O4S/c30-28(31,19-36-27(33)26-18-20-11-12-21(26)17-20)37(34,35)29(22-7-3-1-4-8-22,23-9-5-2-6-10-23)24-13-15-25(32)16-14-24;21-20(22,23)27(25,26)19(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-18(24)14-12-17;1-18(15,16)11(12,13)6-17-10(14)9-5-7-2-3-8(9)4-7/h1-10,13-16,20-21,26,32H,11-12,17-19H2;1-14,24H;7-9H,2-6H2,1H3
• InChIKey: QVGHXUGSWIPCSJ-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 195.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.31
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol?

The IUPAC name of [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol (CID 160528775) is [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol.

What is the SMILES notation for [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol?

The canonical SMILES for [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol is CS(=O)(=O)C(F)(F)COC(=O)C1CC2CCC1C2.O=C(OCC(F)(F)S(=O)(=O)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1)C1CC2CCC1C2.O=S(=O)(C(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccc(O)cc1.

What is the InChIKey of [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol?

The InChIKey is QVGHXUGSWIPCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F2O5S.C20H15F3O3S.C11H16F2O4S/c30-28(31,19-36-27(33)26-18-20-11-12-21(26)17-20)37(34,35)29(22-7-3-1-4-8-22,23-9-5-2-6-10-23)24-13-15-25(32)16-14-24;21-20(22,23)27(25,26)19(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-18(24)14-12-17;1-18(15,16)11(12,13)6-17-10(14)9-5-7-2-3-8(9)4-7/h1-10,13-16,20-21,26,32H,11-12,17-19H2;1-14,24H;7-9H,2-6H2,1H3.

What are the key properties of [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol?

[2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol has a molecular weight of 1201.31 g/mol, XLogP of 11.89, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [2,2-difluoro-2-[(4-hydroxyphenyl)-diphenylmethyl]sulfonylethyl] bicyclo[2.2.1]heptane-2-carboxylate;(2,2-difluoro-2-methylsulfonylethyl) bicyclo[2.2.1]heptane-2-carboxylate;4-[diphenyl(trifluoromethylsulfonyl)methyl]phenol is sourced from PubChem (CID 160528775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).