2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium)

C170H170F12O34S12 — CID 157194829

About 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium)

2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium) (PubChem CID 157194829) has the molecular formula C170H170F12O34S12 and a molecular weight of 3369.98 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium)
• PubChem CID: 157194829
• Molecular Formula: C170H170F12O34S12
• Molecular Weight: 3369.98 g/mol
• Exact Mass: 3366.80
• IUPAC Name: 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium)
• SMILES: CCCC(O)CCOC(=O)C(F)(F)S(=O)(=O)[O-].O=C(OCC1CC2CC1C1CCCC21)C(F)(F)S(=O)(=O)[O-].O=C(OCC1CC2CCC1C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC1CCCCC1)C(F)(F)S(=O)(=O)[O-].O=C(OCCCCCCO)C(F)(F)S(=O)(=O)[O-].O=C(OCCOc1cccc2c(O)cccc12)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/6C18H15S.C14H12F2O7S.C13H18F2O5S.C10H14F2O5S.C9H14F2O5S.2C8H14F2O6S/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-14(16,24(19,20)21)13(18)23-8-7-22-12-6-2-3-9-10(12)4-1-5-11(9)17;14-13(15,21(17,18)19)12(16)20-6-8-4-7-5-11(8)10-3-1-2-9(7)10;11-10(12,18(14,15)16)9(13)17-5-8-4-6-1-2-7(8)3-6;10-9(11,17(13,14)15)8(12)16-6-7-4-2-1-3-5-7;1-2-3-6(11)4-5-16-7(12)8(9,10)17(13,14)15;9-8(10,17(13,14)15)7(12)16-6-4-2-1-3-5-11/h6*1-15H;1-6,17H,7-8H2,(H,19,20,21);7-11H,1-6H2,(H,17,18,19);6-8H,1-5H2,(H,14,15,16);7H,1-6H2,(H,13,14,15);6,11H,2-5H2,1H3,(H,13,14,15);11H,1-6H2,(H,13,14,15)/q6*+1;;;;;;/p-6
• InChIKey: AQCVONXGGIITGT-UHFFFAOYSA-H
• XLogP: 34.83
• TPSA: 570.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 34
• Rotatable Bonds: 51
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3369.98
LogP ≤ 5	34.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium)?

The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium) (CID 157194829) is 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium).

What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium)?

The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium) is CCCC(O)CCOC(=O)C(F)(F)S(=O)(=O)[O-].O=C(OCC1CC2CC1C1CCCC21)C(F)(F)S(=O)(=O)[O-].O=C(OCC1CC2CCC1C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC1CCCCC1)C(F)(F)S(=O)(=O)[O-].O=C(OCCCCCCO)C(F)(F)S(=O)(=O)[O-].O=C(OCCOc1cccc2c(O)cccc12)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium)?

The InChIKey is AQCVONXGGIITGT-UHFFFAOYSA-H. The full InChI is InChI=1S/6C18H15S.C14H12F2O7S.C13H18F2O5S.C10H14F2O5S.C9H14F2O5S.2C8H14F2O6S/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-14(16,24(19,20)21)13(18)23-8-7-22-12-6-2-3-9-10(12)4-1-5-11(9)17;14-13(15,21(17,18)19)12(16)20-6-8-4-7-5-11(8)10-3-1-2-9(7)10;11-10(12,18(14,15)16)9(13)17-5-8-4-6-1-2-7(8)3-6;10-9(11,17(13,14)15)8(12)16-6-7-4-2-1-3-5-7;1-2-3-6(11)4-5-16-7(12)8(9,10)17(13,14)15;9-8(10,17(13,14)15)7(12)16-6-4-2-1-3-5-11/h6*1-15H;1-6,17H,7-8H2,(H,19,20,21);7-11H,1-6H2,(H,17,18,19);6-8H,1-5H2,(H,14,15,16);7H,1-6H2,(H,13,14,15);6,11H,2-5H2,1H3,(H,13,14,15);11H,1-6H2,(H,13,14,15)/q6*+1;;;;;;/p-6.

What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium)?

2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium) has a molecular weight of 3369.98 g/mol, XLogP of 34.83, 51 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-(6-hydroxyhexoxy)-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;hexakis(triphenylsulfanium) is sourced from PubChem (CID 157194829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).