2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium)

C175H180F14O35S14 — CID 157248564

IUPAC2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium)
SMILESCC(C)(C)OC(=O)C(F)(F)S(=O)(=O)[O-].CC(C)(OC(=O)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.CC(C)OC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCCCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].COC(=O)C(F)(F)S(=O)(=O)[O-].O=C(O)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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/7C18H15S.C14H26F2O5S.C11H18F2O5S.C8H14F2O5S.C6H10F2O5S.C5H8F2O5S.C3H4F2O5S.C2H2F2O5S/c7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-9-10-11-12-21-13(17)14(15,16)22(18,19)20;1-10(2,8-6-4-3-5-7-8)18-9(14)11(12,13)19(15,16)17;1-2-3-4-5-6-15-7(11)8(9,10)16(12,13)14;1-5(2,3)13-4(9)6(7,8)14(10,11)12;1-3(2)12-4(8)5(6,7)13(9,10)11;1-10-2(6)3(4,5)11(7,8)9;3-2(4,1(5)6)10(7,8)9/h7*1-15H;2-12H2,1H3,(H,18,19,20);8H,3-7H2,1-2H3,(H,15,16,17);2-6H2,1H3,(H,12,13,14);1-3H3,(H,10,11,12);3H,1-2H3,(H,9,10,11);1H3,(H,7,8,9);(H,5,6)(H,7,8,9)/q7*+1;;;;;;;/p-7
InChIKeyAWBNFDAWYYJNTR-UHFFFAOYSA-G
MW3558.24 g/mol
LogP39.39
Rot. Bonds54

About 2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium)

2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium) (PubChem CID 157248564) has the molecular formula C175H180F14O35S14 and a molecular weight of 3558.24 g/mol. Its IUPAC name is 2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium).

Molecular Properties

Compound Name2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium)
PubChem CID157248564
Molecular FormulaC175H180F14O35S14
Molecular Weight3558.24 g/mol
Exact Mass3554.82
IUPAC Name2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium)
SMILESCC(C)(C)OC(=O)C(F)(F)S(=O)(=O)[O-].CC(C)(OC(=O)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.CC(C)OC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCCCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].COC(=O)C(F)(F)S(=O)(=O)[O-].O=C(O)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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/7C18H15S.C14H26F2O5S.C11H18F2O5S.C8H14F2O5S.C6H10F2O5S.C5H8F2O5S.C3H4F2O5S.C2H2F2O5S/c7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-9-10-11-12-21-13(17)14(15,16)22(18,19)20;1-10(2,8-6-4-3-5-7-8)18-9(14)11(12,13)19(15,16)17;1-2-3-4-5-6-15-7(11)8(9,10)16(12,13)14;1-5(2,3)13-4(9)6(7,8)14(10,11)12;1-3(2)12-4(8)5(6,7)13(9,10)11;1-10-2(6)3(4,5)11(7,8)9;3-2(4,1(5)6)10(7,8)9/h7*1-15H;2-12H2,1H3,(H,18,19,20);8H,3-7H2,1-2H3,(H,15,16,17);2-6H2,1H3,(H,12,13,14);1-3H3,(H,10,11,12);3H,1-2H3,(H,9,10,11);1H3,(H,7,8,9);(H,5,6)(H,7,8,9)/q7*+1;;;;;;;/p-7
InChIKeyAWBNFDAWYYJNTR-UHFFFAOYSA-G
XLogP39.39
TPSA595.50 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds54
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003558.24
LogP ≤ 539.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

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-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium)?
The IUPAC name of 2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium) (CID 157248564) is 2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium).
What is the SMILES notation for 2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium)?
The canonical SMILES for 2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium) is CC(C)(C)OC(=O)C(F)(F)S(=O)(=O)[O-].CC(C)(OC(=O)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.CC(C)OC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCCCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].CCCCCCOC(=O)C(F)(F)S(=O)(=O)[O-].COC(=O)C(F)(F)S(=O)(=O)[O-].O=C(O)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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium)?
The InChIKey is AWBNFDAWYYJNTR-UHFFFAOYSA-G. The full InChI is InChI=1S/7C18H15S.C14H26F2O5S.C11H18F2O5S.C8H14F2O5S.C6H10F2O5S.C5H8F2O5S.C3H4F2O5S.C2H2F2O5S/c7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-9-10-11-12-21-13(17)14(15,16)22(18,19)20;1-10(2,8-6-4-3-5-7-8)18-9(14)11(12,13)19(15,16)17;1-2-3-4-5-6-15-7(11)8(9,10)16(12,13)14;1-5(2,3)13-4(9)6(7,8)14(10,11)12;1-3(2)12-4(8)5(6,7)13(9,10)11;1-10-2(6)3(4,5)11(7,8)9;3-2(4,1(5)6)10(7,8)9/h7*1-15H;2-12H2,1H3,(H,18,19,20);8H,3-7H2,1-2H3,(H,15,16,17);2-6H2,1H3,(H,12,13,14);1-3H3,(H,10,11,12);3H,1-2H3,(H,9,10,11);1H3,(H,7,8,9);(H,5,6)(H,7,8,9)/q7*+1;;;;;;;/p-7.
What are the key properties of 2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium)?
2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium) has a molecular weight of 3558.24 g/mol, XLogP of 39.39, 54 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylpropan-2-yloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-hexoxy-2-oxoethanesulfonate;1,1-difluoro-2-hydroxy-2-oxoethanesulfonate;1,1-difluoro-2-methoxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methylpropan-2-yl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-propan-2-yloxyethanesulfonate;2-dodecoxy-1,1-difluoro-2-oxoethanesulfonate;heptakis(triphenylsulfanium) is sourced from PubChem (CID 157248564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).