benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate

C133H97F22O57S11-11 — CID 157180363

About benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate

benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate (PubChem CID 157180363) has the molecular formula C133H97F22O57S11-11 and a molecular weight of 3377.87 g/mol. Its IUPAC name is benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate.

Molecular Properties

• Compound Name: benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
• PubChem CID: 157180363
• Molecular Formula: C133H97F22O57S11-11
• Molecular Weight: 3377.87 g/mol
• Exact Mass: 3375.13
• IUPAC Name: benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate
• SMILES: O=C(OCCOc1ccc2ccccc2c1)C(F)(F)SOO[O-].O=C(OCCOc1cccc2ccccc12)C(F)(F)SOO[O-].O=C(OCCc1ccc2ccccc2c1)C(F)(F)SOO[O-].O=C(OCCc1cccc2ccccc12)C(F)(F)SOO[O-].O=C(OCCc1ccccc1)C(F)(F)SOO[O-].O=C(OCc1ccc2ccccc2c1)C(F)(F)SOO[O-].O=C(OCc1cccc2ccccc12)C(F)(F)SOO[O-].O=C(OCc1ccccc1)C(F)(F)SOO[O-].O=C(Oc1ccc2ccccc2c1)C(F)(F)SOO[O-].O=C(Oc1cccc2ccccc12)C(F)(F)SOO[O-].O=C(Oc1ccccc1)C(F)(F)SOO[O-]
• InChI: InChI=1S/2C14H12F2O6S.2C14H12F2O5S.2C13H10F2O5S.2C12H8F2O5S.C10H10F2O5S.C9H8F2O5S.C8H6F2O5S/c15-14(16,23-22-21-18)13(17)20-9-8-19-12-7-3-5-10-4-1-2-6-11(10)12;15-14(16,23-22-21-18)13(17)20-8-7-19-12-6-5-10-3-1-2-4-11(10)9-12;15-14(16,22-21-20-18)13(17)19-9-8-11-6-3-5-10-4-1-2-7-12(10)11;15-14(16,22-21-20-18)13(17)19-8-7-10-5-6-11-3-1-2-4-12(11)9-10;14-13(15,21-20-19-17)12(16)18-8-10-6-3-5-9-4-1-2-7-11(9)10;14-13(15,21-20-19-17)12(16)18-8-9-5-6-10-3-1-2-4-11(10)7-9;13-12(14,20-19-18-16)11(15)17-10-7-3-5-8-4-1-2-6-9(8)10;13-12(14,20-19-18-16)11(15)17-10-6-5-8-3-1-2-4-9(8)7-10;11-10(12,18-17-16-14)9(13)15-7-6-8-4-2-1-3-5-8;10-9(11,17-16-15-13)8(12)14-6-7-4-2-1-3-5-7;9-8(10,16-15-14-12)7(11)13-6-4-2-1-3-5-6/h1-7,18H,8-9H2;1-6,9,18H,7-8H2;1-7,18H,8-9H2;1-6,9,18H,7-8H2;2*1-7,17H,8H2;2*1-7,16H;1-5,14H,6-7H2;1-5,13H,6H2;1-5,12H/p-11
• InChIKey: AOMQXGJFFKFAGN-UHFFFAOYSA-C
• XLogP: 21.83
• TPSA: 764.48 Ų
• H-Bond Acceptors: 68
• Rotatable Bonds: 70
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3377.87
LogP ≤ 5	21.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	68

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?

The IUPAC name of benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate (CID 157180363) is benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate.

What is the SMILES notation for benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?

The canonical SMILES for benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate is O=C(OCCOc1ccc2ccccc2c1)C(F)(F)SOO[O-].O=C(OCCOc1cccc2ccccc12)C(F)(F)SOO[O-].O=C(OCCc1ccc2ccccc2c1)C(F)(F)SOO[O-].O=C(OCCc1cccc2ccccc12)C(F)(F)SOO[O-].O=C(OCCc1ccccc1)C(F)(F)SOO[O-].O=C(OCc1ccc2ccccc2c1)C(F)(F)SOO[O-].O=C(OCc1cccc2ccccc12)C(F)(F)SOO[O-].O=C(OCc1ccccc1)C(F)(F)SOO[O-].O=C(Oc1ccc2ccccc2c1)C(F)(F)SOO[O-].O=C(Oc1cccc2ccccc12)C(F)(F)SOO[O-].O=C(Oc1ccccc1)C(F)(F)SOO[O-].

What is the InChIKey of benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?

The InChIKey is AOMQXGJFFKFAGN-UHFFFAOYSA-C. The full InChI is InChI=1S/2C14H12F2O6S.2C14H12F2O5S.2C13H10F2O5S.2C12H8F2O5S.C10H10F2O5S.C9H8F2O5S.C8H6F2O5S/c15-14(16,23-22-21-18)13(17)20-9-8-19-12-7-3-5-10-4-1-2-6-11(10)12;15-14(16,23-22-21-18)13(17)20-8-7-19-12-6-5-10-3-1-2-4-11(10)9-12;15-14(16,22-21-20-18)13(17)19-9-8-11-6-3-5-10-4-1-2-7-12(10)11;15-14(16,22-21-20-18)13(17)19-8-7-10-5-6-11-3-1-2-4-12(11)9-10;14-13(15,21-20-19-17)12(16)18-8-10-6-3-5-9-4-1-2-7-11(9)10;14-13(15,21-20-19-17)12(16)18-8-9-5-6-10-3-1-2-4-11(10)7-9;13-12(14,20-19-18-16)11(15)17-10-7-3-5-8-4-1-2-6-9(8)10;13-12(14,20-19-18-16)11(15)17-10-6-5-8-3-1-2-4-9(8)7-10;11-10(12,18-17-16-14)9(13)15-7-6-8-4-2-1-3-5-8;10-9(11,17-16-15-13)8(12)14-6-7-4-2-1-3-5-7;9-8(10,16-15-14-12)7(11)13-6-4-2-1-3-5-6/h1-7,18H,8-9H2;1-6,9,18H,7-8H2;1-7,18H,8-9H2;1-6,9,18H,7-8H2;2*1-7,17H,8H2;2*1-7,16H;1-5,14H,6-7H2;1-5,13H,6H2;1-5,12H/p-11.

What are the key properties of benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate?

benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate has a molecular weight of 3377.87 g/mol, XLogP of 21.83, 70 rotatable bonds, 0 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-yl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-ylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-1-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;naphthalen-2-ylmethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-1-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-naphthalen-2-yloxyethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;phenyl 2,2-difluoro-2-oxidoperoxysulfanylacetate;2-phenylethyl 2,2-difluoro-2-oxidoperoxysulfanylacetate is sourced from PubChem (CID 157180363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).