carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate

C102H136F8O42S6 — CID 164984952

About carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate

carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate (PubChem CID 164984952) has the molecular formula C102H136F8O42S6 and a molecular weight of 2378.55 g/mol. Its IUPAC name is carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate.

Molecular Properties

• Compound Name: carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate
• PubChem CID: 164984952
• Molecular Formula: C102H136F8O42S6
• Molecular Weight: 2378.55 g/mol
• Exact Mass: 2376.67
• IUPAC Name: carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate
• SMILES: O=C(CC12CC3CC(C1)CC(OCC1CO1)(C3)C2)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCc2c(OCC3CO3)cccc21.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCc2cc(OCC3CO3)ccc2C1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1Cc2ccc(OCC3CO3)cc2C1.O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(OCC4CO4)(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])C1C2CC3CC(C2)C(OCC2CO2)C1C3.[CH3+].[CH3+].[CH3+].[CH3+].[CH3+].[CH3+]
• InChI: InChI=1S/C17H24F2O7S.2C16H18F2O7S.2C16H24O7S.C15H16F2O7S.6CH3/c18-17(19,27(21,22)23)10-25-14(20)6-15-2-11-1-12(3-15)5-16(4-11,9-15)26-8-13-7-24-13;17-16(18,26(20,21)22)9-25-15(19)13-5-1-4-12-11(13)3-2-6-14(12)24-8-10-7-23-10;17-16(18,26(20,21)22)9-25-15(19)12-2-1-11-6-13(4-3-10(11)5-12)23-7-14-8-24-14;17-14(21-1-2-24(18,19)20)15-4-11-3-12(5-15)7-16(6-11,10-15)23-9-13-8-22-13;17-16(21-1-2-24(18,19)20)14-10-3-9-4-11(6-10)15(13(14)5-9)23-8-12-7-22-12;16-15(17,25(19,20)21)8-24-14(18)11-3-9-1-2-12(5-10(9)4-11)22-6-13-7-23-13;;;;;;/h11-13H,1-10H2,(H,21,22,23);2-3,6,10,13H,1,4-5,7-9H2,(H,20,21,22);3-4,6,12,14H,1-2,5,7-9H2,(H,20,21,22);11-13H,1-10H2,(H,18,19,20);9-15H,1-8H2,(H,18,19,20);1-2,5,11,13H,3-4,6-8H2,(H,19,20,21);6*1H3/q;;;;;;6*+1/p-6
• InChIKey: GAFNQGNOHRDRNA-UHFFFAOYSA-H
• XLogP: 9.56
• TPSA: 631.56 Ų
• H-Bond Acceptors: 42
• Rotatable Bonds: 43
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2378.55
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate?

The IUPAC name of carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate (CID 164984952) is carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate.

What is the SMILES notation for carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate?

The canonical SMILES for carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate is O=C(CC12CC3CC(C1)CC(OCC1CO1)(C3)C2)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCc2c(OCC3CO3)cccc21.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCc2cc(OCC3CO3)ccc2C1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1Cc2ccc(OCC3CO3)cc2C1.O=C(OCCS(=O)(=O)[O-])C12CC3CC(CC(OCC4CO4)(C3)C1)C2.O=C(OCCS(=O)(=O)[O-])C1C2CC3CC(C2)C(OCC2CO2)C1C3.[CH3+].[CH3+].[CH3+].[CH3+].[CH3+].[CH3+].

What is the InChIKey of carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate?

The InChIKey is GAFNQGNOHRDRNA-UHFFFAOYSA-H. The full InChI is InChI=1S/C17H24F2O7S.2C16H18F2O7S.2C16H24O7S.C15H16F2O7S.6CH3/c18-17(19,27(21,22)23)10-25-14(20)6-15-2-11-1-12(3-15)5-16(4-11,9-15)26-8-13-7-24-13;17-16(18,26(20,21)22)9-25-15(19)13-5-1-4-12-11(13)3-2-6-14(12)24-8-10-7-23-10;17-16(18,26(20,21)22)9-25-15(19)12-2-1-11-6-13(4-3-10(11)5-12)23-7-14-8-24-14;17-14(21-1-2-24(18,19)20)15-4-11-3-12(5-15)7-16(6-11,10-15)23-9-13-8-22-13;17-16(21-1-2-24(18,19)20)14-10-3-9-4-11(6-10)15(13(14)5-9)23-8-12-7-22-12;16-15(17,25(19,20)21)8-24-14(18)11-3-9-1-2-12(5-10(9)4-11)22-6-13-7-23-13;;;;;;/h11-13H,1-10H2,(H,21,22,23);2-3,6,10,13H,1,4-5,7-9H2,(H,20,21,22);3-4,6,12,14H,1-2,5,7-9H2,(H,20,21,22);11-13H,1-10H2,(H,18,19,20);9-15H,1-8H2,(H,18,19,20);1-2,5,11,13H,3-4,6-8H2,(H,19,20,21);6*1H3/q;;;;;;6*+1/p-6.

What are the key properties of carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate?

carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate has a molecular weight of 2378.55 g/mol, XLogP of 9.56, 43 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for carbanylium;1,1-difluoro-2-[2-[3-(oxiran-2-ylmethoxy)-1-adamantyl]acetyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-2,3-dihydro-1H-indene-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[6-(oxiran-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalene-2-carbonyl]oxyethanesulfonate;2-[3-(oxiran-2-ylmethoxy)adamantane-1-carbonyl]oxyethanesulfonate;2-[4-(oxiran-2-ylmethoxy)adamantane-2-carbonyl]oxyethanesulfonate is sourced from PubChem (CID 164984952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).