2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol

C62H69Cl6F9N10O9 — CID 159747078

IUPAC2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
SMILESFc1cc(Cl)ccc1N1CCNCC1.O=C(CCl)N1CCN(c2ccc(Cl)cc2F)CC1.O=C(COC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ccc(Cl)cc2F)CC1.O=C(Cl)CCl.O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1C(F)(F)F
InChIInChI=1S/C25H27ClF4N4O4.C13H15F3N2O3.C12H13Cl2FN2O.C10H12ClFN2.C2H2Cl2O/c26-16-1-7-23(21(27)13-16)32-9-11-33(12-10-32)24(35)15-38-19-5-2-17(3-6-19)31-18-4-8-22(34(36)37)20(14-18)25(28,29)30;14-13(15,16)11-7-9(3-6-12(11)18(20)21)17-8-1-4-10(19)5-2-8;13-8-12(18)17-5-3-16(4-6-17)11-2-1-9(14)7-10(11)15;11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14;3-1-2(4)5/h1,4,7-8,13-14,17,19,31H,2-3,5-6,9-12,15H2;3,6-8,10,17,19H,1-2,4-5H2;1-2,7H,3-6,8H2;1-2,7,13H,3-6H2;1H2
InChIKeyNDEDAXZOHWKGBR-UHFFFAOYSA-N
MW1481.99 g/mol
LogP14.07
Rot. Bonds14

About 2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol

2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol (PubChem CID 159747078) has the molecular formula C62H69Cl6F9N10O9 and a molecular weight of 1481.99 g/mol. Its IUPAC name is 2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
PubChem CID159747078
Molecular FormulaC62H69Cl6F9N10O9
Molecular Weight1481.99 g/mol
Exact Mass1478.32
IUPAC Name2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
SMILESFc1cc(Cl)ccc1N1CCNCC1.O=C(CCl)N1CCN(c2ccc(Cl)cc2F)CC1.O=C(COC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ccc(Cl)cc2F)CC1.O=C(Cl)CCl.O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1C(F)(F)F
InChIInChI=1S/C25H27ClF4N4O4.C13H15F3N2O3.C12H13Cl2FN2O.C10H12ClFN2.C2H2Cl2O/c26-16-1-7-23(21(27)13-16)32-9-11-33(12-10-32)24(35)15-38-19-5-2-17(3-6-19)31-18-4-8-22(34(36)37)20(14-18)25(28,29)30;14-13(15,16)11-7-9(3-6-12(11)18(20)21)17-8-1-4-10(19)5-2-8;13-8-12(18)17-5-3-16(4-6-17)11-2-1-9(14)7-10(11)15;11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14;3-1-2(4)5/h1,4,7-8,13-14,17,19,31H,2-3,5-6,9-12,15H2;3,6-8,10,17,19H,1-2,4-5H2;1-2,7H,3-6,8H2;1-2,7,13H,3-6H2;1H2
InChIKeyNDEDAXZOHWKGBR-UHFFFAOYSA-N
XLogP14.07
TPSA219.24 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001481.99
LogP ≤ 514.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol with MolForge

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Related Compounds

1-[4-(4-Chloro-2-fluoro-phenyl)-piperazin-1-yl]-2-[trans-4-(4-nitro-3-trifluoromethyl-phenylamino)-cyclohexyloxy]-ethanone
CID 44193825
1-[4-(4-Chlorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 44195157
1-[4-(4-Chlorophenyl)piperazin-1-yl]-2-[4-[4-nitro-2-(trifluoromethyl)anilino]cyclohexyl]oxyethanone
CID 58118060
2-Chloroacetyl chloride;2-chloro-1-[4-(4-isocyanophenyl)piperazin-1-yl]ethanone;1-(4-isocyanophenyl)piperazine;1-[4-(4-isocyanophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 157734019
1,5-Dichloropentane;naphthalen-2-amine;1-naphthalen-2-ylpiperazine;bis(1-(4-naphthalen-2-ylpiperazin-1-yl)-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone);2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetic acid
CID 159322760
2-Chloroacetyl chloride;2-chloro-1-[4-(2,4-difluorophenyl)piperidin-1-yl]ethanone;4-(2,4-difluorophenyl)piperidine;1-[4-(2,4-difluorophenyl)piperidin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 159598766
1-(4-Tert-butylphenyl)piperazine;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-chloroethanone;1-[4-(4-tert-butylphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 159758525
2-Chloro-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 160175580
2-chloro-1-[(2R,5S)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone;1-[(2R,5S)-2,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 160433608
2-Chloro-1-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]ethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]ethanone
CID 160666971
1-[4-(4-Butylphenyl)piperazin-1-yl]-2-chloroethanone;4-(4-butylphenyl)piperidine;1-[4-(4-butylphenyl)piperidin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;2-chloroacetyl chloride;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 161460791

Frequently Asked Questions

What is the IUPAC name of 2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol?
The IUPAC name of 2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol (CID 159747078) is 2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol is Fc1cc(Cl)ccc1N1CCNCC1.O=C(CCl)N1CCN(c2ccc(Cl)cc2F)CC1.O=C(COC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(c2ccc(Cl)cc2F)CC1.O=C(Cl)CCl.O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1C(F)(F)F.
What is the InChIKey of 2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol?
The InChIKey is NDEDAXZOHWKGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClF4N4O4.C13H15F3N2O3.C12H13Cl2FN2O.C10H12ClFN2.C2H2Cl2O/c26-16-1-7-23(21(27)13-16)32-9-11-33(12-10-32)24(35)15-38-19-5-2-17(3-6-19)31-18-4-8-22(34(36)37)20(14-18)25(28,29)30;14-13(15,16)11-7-9(3-6-12(11)18(20)21)17-8-1-4-10(19)5-2-8;13-8-12(18)17-5-3-16(4-6-17)11-2-1-9(14)7-10(11)15;11-8-1-2-10(9(12)7-8)14-5-3-13-4-6-14;3-1-2(4)5/h1,4,7-8,13-14,17,19,31H,2-3,5-6,9-12,15H2;3,6-8,10,17,19H,1-2,4-5H2;1-2,7H,3-6,8H2;1-2,7,13H,3-6H2;1H2.
What are the key properties of 2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol?
2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol has a molecular weight of 1481.99 g/mol, XLogP of 14.07, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroacetyl chloride;2-chloro-1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]ethanone;1-(4-chloro-2-fluorophenyl)piperazine;1-[4-(4-chloro-2-fluorophenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 159747078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).