2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium)

C142H134F10O30S10 — CID 157455950

IUPAC2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium)
SMILESO=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(OCCOc1cccc2c(O)cccc12)C(F)(F)S(=O)(=O)[O-].O=C1OCC(COC(=O)C(F)(F)S(=O)(=O)[O-])O1.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
InChIInChI=1S/5C18H15S.C14H12F2O7S.C13H18F2O5S.C10H14F2O5S.C9H14F2O5S.C6H6F2O8S/c5*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;7-6(8,17(11,12)13)4(9)14-1-3-2-15-5(10)16-3/h5*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);3H,1-2H2,(H,11,12,13)/q5*+1;;;;;/p-5
InChIKeyBTIYNCGJRWKGSW-UHFFFAOYSA-I
MW2831.25 g/mol
LogP28.81
Rot. Bonds37

About 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium)

2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium) (PubChem CID 157455950) has the molecular formula C142H134F10O30S10 and a molecular weight of 2831.25 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-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium).

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium)
PubChem CID157455950
Molecular FormulaC142H134F10O30S10
Molecular Weight2831.25 g/mol
Exact Mass2828.60
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium)
SMILESO=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(OCCOc1cccc2c(O)cccc12)C(F)(F)S(=O)(=O)[O-].O=C1OCC(COC(=O)C(F)(F)S(=O)(=O)[O-])O1.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
InChIInChI=1S/5C18H15S.C14H12F2O7S.C13H18F2O5S.C10H14F2O5S.C9H14F2O5S.C6H6F2O8S/c5*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;7-6(8,17(11,12)13)4(9)14-1-3-2-15-5(10)16-3/h5*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);3H,1-2H2,(H,11,12,13)/q5*+1;;;;;/p-5
InChIKeyBTIYNCGJRWKGSW-UHFFFAOYSA-I
XLogP28.81
TPSA482.49 Ų
H-Bond Donors1
H-Bond Acceptors30
Rotatable Bonds37
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002831.25
LogP ≤ 528.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1030

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'}

Analyze 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium) with MolForge

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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-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(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-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium) (CID 157455950) is 2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(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-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(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-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium) is 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(OCCOc1cccc2c(O)cccc12)C(F)(F)S(=O)(=O)[O-].O=C1OCC(COC(=O)C(F)(F)S(=O)(=O)[O-])O1.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-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium)?
The InChIKey is BTIYNCGJRWKGSW-UHFFFAOYSA-I. The full InChI is InChI=1S/5C18H15S.C14H12F2O7S.C13H18F2O5S.C10H14F2O5S.C9H14F2O5S.C6H6F2O8S/c5*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;7-6(8,17(11,12)13)4(9)14-1-3-2-15-5(10)16-3/h5*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);3H,1-2H2,(H,11,12,13)/q5*+1;;;;;/p-5.
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-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium)?
2-(2-bicyclo[2.2.1]heptanylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;2-(cyclohexylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium) has a molecular weight of 2831.25 g/mol, XLogP of 28.81, 37 rotatable bonds, 1 hydrogen bond donors, and 30 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-[2-(5-hydroxynaphthalen-1-yl)oxyethoxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(2-oxo-1,3-dioxolan-4-yl)methoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-(8-tricyclo[5.2.1.02,6]decanylmethoxy)ethanesulfonate;pentakis(triphenylsulfanium) is sourced from PubChem (CID 157455950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).