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

C65H72Cl3F12N7O9 — CID 159598766

IUPAC2-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
SMILESFc1ccc(C2CCNCC2)c(F)c1.O=C(CCl)N1CCC(c2ccc(F)cc2F)CC1.O=C(COC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCC(c2ccc(F)cc2F)CC1.O=C(Cl)CCl.O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1C(F)(F)F
InChIInChI=1S/C26H28F5N3O4.C13H14ClF2NO.C13H15F3N2O3.C11H13F2N.C2H2Cl2O/c27-17-1-7-21(23(28)13-17)16-9-11-33(12-10-16)25(35)15-38-20-5-2-18(3-6-20)32-19-4-8-24(34(36)37)22(14-19)26(29,30)31;14-8-13(18)17-5-3-9(4-6-17)11-2-1-10(15)7-12(11)16;14-13(15,16)11-7-9(3-6-12(11)18(20)21)17-8-1-4-10(19)5-2-8;12-9-1-2-10(11(13)7-9)8-3-5-14-6-4-8;3-1-2(4)5/h1,4,7-8,13-14,16,18,20,32H,2-3,5-6,9-12,15H2;1-2,7,9H,3-6,8H2;3,6-8,10,17,19H,1-2,4-5H2;1-2,7-8,14H,3-6H2;1H2
InChIKeyMLEOJKWQNPHDNG-UHFFFAOYSA-N
MW1429.67 g/mol
LogP15.70
Rot. Bonds14

About 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

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 (PubChem CID 159598766) has the molecular formula C65H72Cl3F12N7O9 and a molecular weight of 1429.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID159598766
Molecular FormulaC65H72Cl3F12N7O9
Molecular Weight1429.67 g/mol
Exact Mass1427.43
IUPAC Name2-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
SMILESFc1ccc(C2CCNCC2)c(F)c1.O=C(CCl)N1CCC(c2ccc(F)cc2F)CC1.O=C(COC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCC(c2ccc(F)cc2F)CC1.O=C(Cl)CCl.O=[N+]([O-])c1ccc(NC2CCC(O)CC2)cc1C(F)(F)F
InChIInChI=1S/C26H28F5N3O4.C13H14ClF2NO.C13H15F3N2O3.C11H13F2N.C2H2Cl2O/c27-17-1-7-21(23(28)13-17)16-9-11-33(12-10-16)25(35)15-38-20-5-2-18(3-6-20)32-19-4-8-24(34(36)37)22(14-19)26(29,30)31;14-8-13(18)17-5-3-9(4-6-17)11-2-1-10(15)7-12(11)16;14-13(15,16)11-7-9(3-6-12(11)18(20)21)17-8-1-4-10(19)5-2-8;12-9-1-2-10(11(13)7-9)8-3-5-14-6-4-8;3-1-2(4)5/h1,4,7-8,13-14,16,18,20,32H,2-3,5-6,9-12,15H2;1-2,7,9H,3-6,8H2;3,6-8,10,17,19H,1-2,4-5H2;1-2,7-8,14H,3-6H2;1H2
InChIKeyMLEOJKWQNPHDNG-UHFFFAOYSA-N
XLogP15.70
TPSA209.52 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001429.67
LogP ≤ 515.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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-(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 with MolForge

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Related Compounds

2-[4-[4-Nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-[4-(4-phenylphenyl)piperidin-1-yl]ethanone
CID 44194222
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-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;6-fluoro-1,2,3,4-tetrahydroisoquinoline;2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetic acid
CID 157848204
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-(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
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-Chloroacetyl chloride;2-chloro-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone;1-(4-methoxyphenyl)piperazine;1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexyl]oxyethanone;4-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 160650410
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
2-Chloroacetyl chloride;2-chloro-1-[4-(4-phenoxyphenyl)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-phenoxyphenyl)piperidin-1-yl]ethanone;4-(4-phenoxyphenyl)piperidine
CID 160743416
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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Fc1ccc(C2CCNCC2)c(F)c1.O=C(CCl)N1CCC(c2ccc(F)cc2F)CC1.O=C(COC1CCC(Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCC(c2ccc(F)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-(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?
The InChIKey is MLEOJKWQNPHDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F5N3O4.C13H14ClF2NO.C13H15F3N2O3.C11H13F2N.C2H2Cl2O/c27-17-1-7-21(23(28)13-17)16-9-11-33(12-10-16)25(35)15-38-20-5-2-18(3-6-20)32-19-4-8-24(34(36)37)22(14-19)26(29,30)31;14-8-13(18)17-5-3-9(4-6-17)11-2-1-10(15)7-12(11)16;14-13(15,16)11-7-9(3-6-12(11)18(20)21)17-8-1-4-10(19)5-2-8;12-9-1-2-10(11(13)7-9)8-3-5-14-6-4-8;3-1-2(4)5/h1,4,7-8,13-14,16,18,20,32H,2-3,5-6,9-12,15H2;1-2,7,9H,3-6,8H2;3,6-8,10,17,19H,1-2,4-5H2;1-2,7-8,14H,3-6H2;1H2.
What are the key properties of 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?
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 has a molecular weight of 1429.67 g/mol, XLogP of 15.70, 14 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159598766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).