(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium)

C110H105F20O25S7- — CID 157383067

IUPAC(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium)
SMILESO=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(C3)C1=O)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(O)(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(O)(CC(O)(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)OC(C(F)(F)F)C(F)(F)SOO[O-])(C3)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15S.C14H17F5O7S.C14H17F5O6S.2C14H15F5O6S/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,17)8(14(18,19)27-26-25-23)24-9(20)10-1-7-2-11(21,4-10)6-12(22,3-7)5-10;15-13(16,17)9(14(18,19)26-25-24-22)23-10(20)11-2-7-1-8(3-11)5-12(21,4-7)6-11;15-13(16,17)10(14(18,19)26-25-24-22)23-11(21)12-4-6-1-7(5-12)3-8(2-6)9(12)20;15-13(16,17)10(14(18,19)26-25-24-22)23-11(21)12-3-6-1-7(4-12)9(20)8(2-6)5-12/h3*1-15H;7-8,21-23H,1-6H2;7-9,21-22H,1-6H2;2*6-8,10,22H,1-5H2/q3*+1;;;;/p-4
InChIKeyBLCPNITYIKVXLK-UHFFFAOYSA-J
MW2431.45 g/mol
LogP22.61
Rot. Bonds33

About (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium)

(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium) (PubChem CID 157383067) has the molecular formula C110H105F20O25S7- and a molecular weight of 2431.45 g/mol. Its IUPAC name is (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium).

Molecular Properties

Compound Name(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium)
PubChem CID157383067
Molecular FormulaC110H105F20O25S7-
Molecular Weight2431.45 g/mol
Exact Mass2429.47
IUPAC Name(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium)
SMILESO=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(C3)C1=O)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(O)(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(O)(CC(O)(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)OC(C(F)(F)F)C(F)(F)SOO[O-])(C3)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/3C18H15S.C14H17F5O7S.C14H17F5O6S.2C14H15F5O6S/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,17)8(14(18,19)27-26-25-23)24-9(20)10-1-7-2-11(21,4-10)6-12(22,3-7)5-10;15-13(16,17)9(14(18,19)26-25-24-22)23-10(20)11-2-7-1-8(3-11)5-12(21,4-7)6-11;15-13(16,17)10(14(18,19)26-25-24-22)23-11(21)12-4-6-1-7(5-12)3-8(2-6)9(12)20;15-13(16,17)10(14(18,19)26-25-24-22)23-11(21)12-3-6-1-7(4-12)9(20)8(2-6)5-12/h3*1-15H;7-8,21-23H,1-6H2;7-9,21-22H,1-6H2;2*6-8,10,22H,1-5H2/q3*+1;;;;/p-4
InChIKeyBLCPNITYIKVXLK-UHFFFAOYSA-J
XLogP22.61
TPSA366.11 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds33
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002431.45
LogP ≤ 522.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium)?
The IUPAC name of (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium) (CID 157383067) is (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium).
What is the SMILES notation for (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium)?
The canonical SMILES for (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium) is O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(C3)C1=O)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(CC(O)(C3)C1)C2.O=C(OC(C(F)(F)F)C(F)(F)SOO[O-])C12CC3CC(O)(CC(O)(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)OC(C(F)(F)F)C(F)(F)SOO[O-])(C3)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium)?
The InChIKey is BLCPNITYIKVXLK-UHFFFAOYSA-J. The full InChI is InChI=1S/3C18H15S.C14H17F5O7S.C14H17F5O6S.2C14H15F5O6S/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(16,17)8(14(18,19)27-26-25-23)24-9(20)10-1-7-2-11(21,4-10)6-12(22,3-7)5-10;15-13(16,17)9(14(18,19)26-25-24-22)23-10(20)11-2-7-1-8(3-11)5-12(21,4-7)6-11;15-13(16,17)10(14(18,19)26-25-24-22)23-11(21)12-4-6-1-7(5-12)3-8(2-6)9(12)20;15-13(16,17)10(14(18,19)26-25-24-22)23-11(21)12-3-6-1-7(4-12)9(20)8(2-6)5-12/h3*1-15H;7-8,21-23H,1-6H2;7-9,21-22H,1-6H2;2*6-8,10,22H,1-5H2/q3*+1;;;;/p-4.
What are the key properties of (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium)?
(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium) has a molecular weight of 2431.45 g/mol, XLogP of 22.61, 33 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3,5-dihydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 3-hydroxyadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 2-oxoadamantane-1-carboxylate;(1,1,1,3,3-pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 4-oxoadamantane-1-carboxylate;tris(triphenylsulfanium) is sourced from PubChem (CID 157383067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).