heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium)

C110H155F14N7O49Rf7S7-14 — CID 161469447

IUPACheptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium)
SMILESCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)N1CCCCC1=O.O=C1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2.O=C1CCCCN1C(=O)C1CC1.O=C1CCCCN1C(=O)C1CCC1.O=C1CCCCN1C(=O)C1CCCC1.O=C1CCCCN1C(=O)C1CCCCC1.O=C1CCCCN1C(=O)C1CCCCCCC1.[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C16H23NO2.C14H23NO2.C12H19NO2.C11H17NO2.C10H15NO2.C10H17NO2.C9H13NO2.7C4H5F2O5S.7Rf/c18-14-3-1-2-4-17(14)15(19)16-8-11-5-12(9-16)7-13(6-11)10-16;16-13-10-6-7-11-15(13)14(17)12-8-4-2-1-3-5-9-12;14-11-8-4-5-9-13(11)12(15)10-6-2-1-3-7-10;13-10-7-3-4-8-12(10)11(14)9-5-1-2-6-9;12-9-6-1-2-7-11(9)10(13)8-4-3-5-8;1-10(2,3)9(13)11-7-5-4-6-8(11)12;11-8-3-1-2-6-10(8)9(12)7-4-5-7;7*1-3(7)11-2-4(5,6)12(8,9)10;;;;;;;/h11-13H,1-10H2;12H,1-11H2;10H,1-9H2;9H,1-8H2;8H,1-7H2;4-7H2,1-3H3;7H,1-6H2;7*2H,1H3,(H,8,9,10);;;;;;;/q;;;;;;;7*-1;;;;;;;/p-7
InChIKeyJVYKPKZPANXWHL-UHFFFAOYSA-G
MW4718.89 g/mol
LogP12.23
Rot. Bonds27

About heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium)

heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium) (PubChem CID 161469447) has the molecular formula C110H155F14N7O49Rf7S7-14 and a molecular weight of 4718.89 g/mol. Its IUPAC name is heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium).

Molecular Properties

Compound Nameheptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium)
PubChem CID161469447
Molecular FormulaC110H155F14N7O49Rf7S7-14
Molecular Weight4718.89 g/mol
Exact Mass4717.63
IUPAC Nameheptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium)
SMILESCC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)N1CCCCC1=O.O=C1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2.O=C1CCCCN1C(=O)C1CC1.O=C1CCCCN1C(=O)C1CCC1.O=C1CCCCN1C(=O)C1CCCC1.O=C1CCCCN1C(=O)C1CCCCC1.O=C1CCCCN1C(=O)C1CCCCCCC1.[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C16H23NO2.C14H23NO2.C12H19NO2.C11H17NO2.C10H15NO2.C10H17NO2.C9H13NO2.7C4H5F2O5S.7Rf/c18-14-3-1-2-4-17(14)15(19)16-8-11-5-12(9-16)7-13(6-11)10-16;16-13-10-6-7-11-15(13)14(17)12-8-4-2-1-3-5-9-12;14-11-8-4-5-9-13(11)12(15)10-6-2-1-3-7-10;13-10-7-3-4-8-12(10)11(14)9-5-1-2-6-9;12-9-6-1-2-7-11(9)10(13)8-4-3-5-8;1-10(2,3)9(13)11-7-5-4-6-8(11)12;11-8-3-1-2-6-10(8)9(12)7-4-5-7;7*1-3(7)11-2-4(5,6)12(8,9)10;;;;;;;/h11-13H,1-10H2;12H,1-11H2;10H,1-9H2;9H,1-8H2;8H,1-7H2;4-7H2,1-3H3;7H,1-6H2;7*2H,1H3,(H,8,9,10);;;;;;;/q;;;;;;;7*-1;;;;;;;/p-7
InChIKeyJVYKPKZPANXWHL-UHFFFAOYSA-G
XLogP12.23
TPSA846.16 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds27
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004718.89
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium)?
The IUPAC name of heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium) (CID 161469447) is heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium).
What is the SMILES notation for heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium)?
The canonical SMILES for heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium) is CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].CC(C)(C)C(=O)N1CCCCC1=O.O=C1CCCCN1C(=O)C12CC3CC(CC(C3)C1)C2.O=C1CCCCN1C(=O)C1CC1.O=C1CCCCN1C(=O)C1CCC1.O=C1CCCCN1C(=O)C1CCCC1.O=C1CCCCN1C(=O)C1CCCCC1.O=C1CCCCN1C(=O)C1CCCCCCC1.[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium)?
The InChIKey is JVYKPKZPANXWHL-UHFFFAOYSA-G. The full InChI is InChI=1S/C16H23NO2.C14H23NO2.C12H19NO2.C11H17NO2.C10H15NO2.C10H17NO2.C9H13NO2.7C4H5F2O5S.7Rf/c18-14-3-1-2-4-17(14)15(19)16-8-11-5-12(9-16)7-13(6-11)10-16;16-13-10-6-7-11-15(13)14(17)12-8-4-2-1-3-5-9-12;14-11-8-4-5-9-13(11)12(15)10-6-2-1-3-7-10;13-10-7-3-4-8-12(10)11(14)9-5-1-2-6-9;12-9-6-1-2-7-11(9)10(13)8-4-3-5-8;1-10(2,3)9(13)11-7-5-4-6-8(11)12;11-8-3-1-2-6-10(8)9(12)7-4-5-7;7*1-3(7)11-2-4(5,6)12(8,9)10;;;;;;;/h11-13H,1-10H2;12H,1-11H2;10H,1-9H2;9H,1-8H2;8H,1-7H2;4-7H2,1-3H3;7H,1-6H2;7*2H,1H3,(H,8,9,10);;;;;;;/q;;;;;;;7*-1;;;;;;;/p-7.
What are the key properties of heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium)?
heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium) has a molecular weight of 4718.89 g/mol, XLogP of 12.23, 27 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for heptakis(2-acetyloxy-1,1-difluoroethanesulfonate);1-(adamantane-1-carbonyl)piperidin-2-one;1-(cyclobutanecarbonyl)piperidin-2-one;1-(cyclohexanecarbonyl)piperidin-2-one;1-(cyclooctanecarbonyl)piperidin-2-one;1-(cyclopentanecarbonyl)piperidin-2-one;1-(cyclopropanecarbonyl)piperidin-2-one;1-(2,2-dimethylpropanoyl)piperidin-2-one;heptakis(rutherfordium) is sourced from PubChem (CID 161469447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).