potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid

C95H115BrClF6KN8O24S — CID 162157853

About potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid

potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid (PubChem CID 162157853) has the molecular formula C95H115BrClF6KN8O24S and a molecular weight of 2053.51 g/mol. Its IUPAC name is potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid.

Molecular Properties

• Compound Name: potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid
• PubChem CID: 162157853
• Molecular Formula: C95H115BrClF6KN8O24S
• Molecular Weight: 2053.51 g/mol
• Exact Mass: 2050.62
• IUPAC Name: potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid
• SMILES: CC(C)CNC1CCOCC1.CCOC(C)=O.COC(=O)C1(c2ccc(F)c([N+](=O)[O-])c2)CC1.COC(=O)C1(c2ccc(F)cc2)CC1.COC(=O)C1(c2ccc(N(CC(C)C)C3CCOCC3)c([N+](=O)[O-])c2)CC1.ClCCBr.NC(=O)C1(c2ccc(F)cc2)CC1.O=C(O)C1(c2ccc(F)cc2)CC1.O=NO[O-].O=S(=O)(O)O.[C-]#[N+]C1(c2ccc(F)cc2)CC1.[C-]#[N+]Cc1ccc(F)cc1.[K+]
• InChI: InChI=1S/C20H28N2O5.C11H10FNO4.C11H11FO2.C10H10FNO.C10H8FN.C10H9FO2.C9H19NO.C8H6FN.C4H8O2.C2H4BrCl.K.HNO3.H2O4S/c1-14(2)13-21(16-6-10-27-11-7-16)17-5-4-15(12-18(17)22(24)25)20(8-9-20)19(23)26-3;1-17-10(14)11(4-5-11)7-2-3-8(12)9(6-7)13(15)16;1-14-10(13)11(6-7-11)8-2-4-9(12)5-3-8;11-8-3-1-7(2-4-8)10(5-6-10)9(12)13;1-12-10(6-7-10)8-2-4-9(11)5-3-8;11-8-3-1-7(2-4-8)10(5-6-10)9(12)13;1-8(2)7-10-9-3-5-11-6-4-9;1-10-6-7-2-4-8(9)5-3-7;1-3-6-4(2)5;3-1-2-4;;2-1-4-3;1-5(2,3)4/h4-5,12,14,16H,6-11,13H2,1-3H3;2-3,6H,4-5H2,1H3;2-5H,6-7H2,1H3;1-4H,5-6H2,(H2,12,13);2-5H,6-7H2;1-4H,5-6H2,(H,12,13);8-10H,3-7H2,1-2H3;2-5H,6H2;3H2,1-2H3;1-2H2;;3H;(H2,1,2,3,4)/q;;;;;;;;;;+1;;/p-1
• InChIKey: DZNKIYNQUCMNDI-UHFFFAOYSA-M
• XLogP: 14.58
• TPSA: 450.64 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2053.51
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid?

The IUPAC name of potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid (CID 162157853) is potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid.

What is the SMILES notation for potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid?

The canonical SMILES for potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid is CC(C)CNC1CCOCC1.CCOC(C)=O.COC(=O)C1(c2ccc(F)c([N+](=O)[O-])c2)CC1.COC(=O)C1(c2ccc(F)cc2)CC1.COC(=O)C1(c2ccc(N(CC(C)C)C3CCOCC3)c([N+](=O)[O-])c2)CC1.ClCCBr.NC(=O)C1(c2ccc(F)cc2)CC1.O=C(O)C1(c2ccc(F)cc2)CC1.O=NO[O-].O=S(=O)(O)O.[C-]#[N+]C1(c2ccc(F)cc2)CC1.[C-]#[N+]Cc1ccc(F)cc1.[K+].

What is the InChIKey of potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid?

The InChIKey is DZNKIYNQUCMNDI-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H28N2O5.C11H10FNO4.C11H11FO2.C10H10FNO.C10H8FN.C10H9FO2.C9H19NO.C8H6FN.C4H8O2.C2H4BrCl.K.HNO3.H2O4S/c1-14(2)13-21(16-6-10-27-11-7-16)17-5-4-15(12-18(17)22(24)25)20(8-9-20)19(23)26-3;1-17-10(14)11(4-5-11)7-2-3-8(12)9(6-7)13(15)16;1-14-10(13)11(6-7-11)8-2-4-9(12)5-3-8;11-8-3-1-7(2-4-8)10(5-6-10)9(12)13;1-12-10(6-7-10)8-2-4-9(11)5-3-8;11-8-3-1-7(2-4-8)10(5-6-10)9(12)13;1-8(2)7-10-9-3-5-11-6-4-9;1-10-6-7-2-4-8(9)5-3-7;1-3-6-4(2)5;3-1-2-4;;2-1-4-3;1-5(2,3)4/h4-5,12,14,16H,6-11,13H2,1-3H3;2-3,6H,4-5H2,1H3;2-5H,6-7H2,1H3;1-4H,5-6H2,(H2,12,13);2-5H,6-7H2;1-4H,5-6H2,(H,12,13);8-10H,3-7H2,1-2H3;2-5H,6H2;3H2,1-2H3;1-2H2;;3H;(H2,1,2,3,4)/q;;;;;;;;;;+1;;/p-1.

What are the key properties of potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid?

potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid has a molecular weight of 2053.51 g/mol, XLogP of 14.58, 24 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;1-bromo-2-chloroethane;ethyl acetate;1-fluoro-4-(1-isocyanocyclopropyl)benzene;1-fluoro-4-(isocyanomethyl)benzene;1-(4-fluorophenyl)cyclopropane-1-carboxamide;1-(4-fluorophenyl)cyclopropane-1-carboxylic acid;methyl 1-(4-fluoro-3-nitrophenyl)cyclopropane-1-carboxylate;methyl 1-(4-fluorophenyl)cyclopropane-1-carboxylate;methyl 1-[4-[2-methylpropyl(oxan-4-yl)amino]-3-nitrophenyl]cyclopropane-1-carboxylate;N-(2-methylpropyl)oxan-4-amine;oxido nitrite;sulfuric acid is sourced from PubChem (CID 162157853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).