2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide

C166H137F28Ir22N13O2S2-22 — CID 159226774

IUPAC2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide
SMILESCC1=[C-]c2cccc3cccc1c23.Cc1[c-]c(C(F)(F)F)c(F)c(C(F)(F)F)c1F.Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1[c-]c(C(F)(F)F)ccc1.Cc1[c-]c(F)c(F)c(F)c1F.Cc1[c-]c2ccccc2n1C.Cc1[c-]c2ccccc2o1.Cc1[c-]c2ccccc2s1.Cc1[c-]cc(F)cc1.Cc1[c-]cc(F)cc1F.Cc1[c-]ccc(C(F)(F)F)c1.Cc1[c-]cccc1F.Cc1[c-]ccn1C.Cc1[c-]cco1.Cc1[c-]ccs1.Cc1[n-]cc2ccccc12.Cc1[n-]nc2ccccc12.Cc1cc2ccccc2[n-]1.Cc1ccc[n-]1.Cc1ccn[n-]1.Cc1nc2ccccc2[n-]1.Cc1ncc[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C13H9.C10H10N.C9H3F8.C9H5F6.2C9H8N.C9H7O.C9H7S.2C8H6F3.2C8H7N2.C7H3F4.C7H5F2.2C7H6F.C6H8N.C5H6N.C5H5O.C5H5S.2C4H5N2.22Ir/c1-9-8-11-6-2-4-10-5-3-7-12(9)13(10)11;1-8-7-9-5-3-4-6-10(9)11(8)2;1-3-2-4(8(12,13)14)7(11)5(6(3)10)9(15,16)17;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;1-7-9-5-3-2-4-8(9)6-10-7;3*1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-3-2-4-7(5-6)8(9,10)11;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-3-2-4(8)6(10)7(11)5(3)9;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-6-4-3-5-7(6)2;3*1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-4-2-3-5-6-4;;;;;;;;;;;;;;;;;;;;;;/h2-7H,1H3;3-6H,1-2H3;1H3;2,4H,1H3;2*2-6H,1H3;2*2-5H,1H3;2,4-5H,1H3;2-4H,1H3;2*2-5H,1H3;1H3;3-4H,1H3;2,4-5H,1H3;2-3,5H,1H3;3,5H,1-2H3;2-4H,1H3;2*2,4H,1H3;2*2-3H,1H3;;;;;;;;;;;;;;;;;;;;;;/q22*-1;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFMMOMAIJFMWAJE-UHFFFAOYSA-N
MW7170.86 g/mol
LogP46.29
Rot. Bonds

About 2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide

2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide (PubChem CID 159226774) has the molecular formula C166H137F28Ir22N13O2S2-22 and a molecular weight of 7170.86 g/mol. Its IUPAC name is 2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide.

Molecular Properties

Compound Name2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide
PubChem CID159226774
Molecular FormulaC166H137F28Ir22N13O2S2-22
Molecular Weight7170.86 g/mol
Exact Mass7185.20
IUPAC Name2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide
SMILESCC1=[C-]c2cccc3cccc1c23.Cc1[c-]c(C(F)(F)F)c(F)c(C(F)(F)F)c1F.Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1[c-]c(C(F)(F)F)ccc1.Cc1[c-]c(F)c(F)c(F)c1F.Cc1[c-]c2ccccc2n1C.Cc1[c-]c2ccccc2o1.Cc1[c-]c2ccccc2s1.Cc1[c-]cc(F)cc1.Cc1[c-]cc(F)cc1F.Cc1[c-]ccc(C(F)(F)F)c1.Cc1[c-]cccc1F.Cc1[c-]ccn1C.Cc1[c-]cco1.Cc1[c-]ccs1.Cc1[n-]cc2ccccc12.Cc1[n-]nc2ccccc12.Cc1cc2ccccc2[n-]1.Cc1ccc[n-]1.Cc1ccn[n-]1.Cc1nc2ccccc2[n-]1.Cc1ncc[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C13H9.C10H10N.C9H3F8.C9H5F6.2C9H8N.C9H7O.C9H7S.2C8H6F3.2C8H7N2.C7H3F4.C7H5F2.2C7H6F.C6H8N.C5H6N.C5H5O.C5H5S.2C4H5N2.22Ir/c1-9-8-11-6-2-4-10-5-3-7-12(9)13(10)11;1-8-7-9-5-3-4-6-10(9)11(8)2;1-3-2-4(8(12,13)14)7(11)5(6(3)10)9(15,16)17;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;1-7-9-5-3-2-4-8(9)6-10-7;3*1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-3-2-4-7(5-6)8(9,10)11;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-3-2-4(8)6(10)7(11)5(3)9;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-6-4-3-5-7(6)2;3*1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-4-2-3-5-6-4;;;;;;;;;;;;;;;;;;;;;;/h2-7H,1H3;3-6H,1-2H3;1H3;2,4H,1H3;2*2-6H,1H3;2*2-5H,1H3;2,4-5H,1H3;2-4H,1H3;2*2-5H,1H3;1H3;3-4H,1H3;2,4-5H,1H3;2-3,5H,1H3;3,5H,1-2H3;2-4H,1H3;2*2,4H,1H3;2*2-3H,1H3;;;;;;;;;;;;;;;;;;;;;;/q22*-1;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFMMOMAIJFMWAJE-UHFFFAOYSA-N
XLogP46.29
TPSA186.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms233
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5007170.86
LogP ≤ 546.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide with MolForge

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Related Compounds

1-(Difluoromethoxy)-3-(2-methylpropyl)benzene;5-(2,2-dimethylpropyl)-1,3-dihydro-2-benzothiophene;1-[4-(2,2-dimethylpropyl)phenyl]benzimidazole;1-[4-(2,2-dimethylpropyl)phenyl]imidazole;3-[4-(2,2-dimethylpropyl)phenyl]-1-methylpyrazole;1-[4-(2,2-dimethylpropyl)phenyl]pyrazole;4-(2,2-dimethylpropyl)-1-phenylpyrazole;1-[4-(2,2-dimethylpropyl)phenyl]pyrrolidine;1-[4-(2,2-dimethylpropyl)phenyl]-1,2,4-triazole;2-[4-(2,2-dimethylpropyl)phenyl]triazole;3-[4-(2,2-dimethylpropyl)phenyl]-1-(trifluoromethyl)pyrazole;1-(2,2-dimethylpropyl)-3-(propan-2-ylsulfonylmethyl)benzene;1-(2,2-dimethylpropyl)-3-(trifluoromethylsulfonylmethyl)benzene
CID 157291716
2-(2H-1-benzothiophen-2-id-3-yl)-4-fluoro-1-(2,4,6-trimethylphenyl)imidazole;2-(2H-1-benzothiophen-2-id-3-yl)-4-(trifluoromethyl)-1-(2,4,6-trimethylphenyl)imidazole;3-indazol-2-id-3-yl-2H-benzimidazol-2-ide-1-carbonitrile;pentakis(iridium);3-(1-methyl-2H-indol-2-id-3-yl)-2H-imidazol-2-ide-1-carbonitrile;3-(4,5,6,7-tetrafluoro-2H-1-benzofuran-2-id-3-yl)-2H-benzimidazol-2-ide-1-carbonitrile
CID 158306562
2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;hexadecakis(iridium);2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;3-methylindazol-2-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide
CID 159468008
1-(2H-1-benzofuran-2-id-3-yl)pyrazole-3-carbonitrile;2-(2H-1-benzothiophen-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;5-[2,6-di(propan-2-yl)phenyl]-1-(4-fluoro-2H-thiophen-2-id-3-yl)pyrazole-3-carbonitrile;2-(3H-furo[2,3-c]pyrazol-3-id-2-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile;pentakis(iridium);2-(2H-thiophen-2-id-3-yl)-1-(2,4,6-trimethylphenyl)imidazole-4-carbonitrile
CID 158080350
2-(2H-1-benzofuran-2-id-3-yl)-1-methyl-4-(3-methylphenyl)imidazole;1-[1-(2,6-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]benzimidazole;3-(3,5-dimethylpyrazol-1-yl)-1-(2-methylphenyl)-2H-indol-2-ide;4-(3,4-dimethylthiophen-2-yl)-1-phenyl-2-phenylimidazole;4-(2,4-dimethylthiophen-3-yl)-2-phenyl-1-(2,4,6-trimethylphenyl)imidazole;pentakis(iridium);3-(2-methylphenyl)-1-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)pyrazole
CID 158339125
2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;hexakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole
CID 159168129
Anisole;anthracene;bromomethane;chloromethane;ethane;fluoromethane;iodomethane;bis(1-methylbenzimidazole);1-methylimidazole;1-methylpyrazole;methylsulfanylbenzene;1-methyl-1,2,4-triazole;phenanthrene;9-phenylpyrido[2,3-b]indole;9-phenylpyrido[3,4-b]indole;pyrene;9-pyridin-2-ylcarbazole;9-pyridin-3-ylcarbazole;9-pyridin-4-ylcarbazole;triphenylene
CID 160355699
2,3-Dimethylbenzo[e]benzimidazole;1,3-dimethylbenzo[e]indazole;11-methylbenzo[b][1]benzazepine;5-methylbenzo[b]carbazole;7-methylbenzo[c]carbazole;10-methylphenothiazine;10-methylphenoxazine;5-methylpyrido[3,2-b]indole
CID 160657496
Anisole;anthracene;bromomethane;chloromethane;ethane;fluoromethane;iodomethane;1-methylbenzimidazole;1-methylimidazole;1-methylindazole;1-methylpyrazole;methylsulfanylbenzene;1-methyl-1,2,4-triazole;phenanthrene;9-phenylpyrido[2,3-b]indole;9-phenylpyrido[3,4-b]indole;pyrene;9-pyridin-2-ylcarbazole;9-pyridin-3-ylcarbazole;9-pyridin-4-ylcarbazole;triphenylene
CID 161294786
2-(2,4-difluorobenzene-6-id-1-yl)-4-ethenoxypyridine;1-(9,9-dimethyl-7-prop-2-enyl-3H-fluoren-3-id-2-yl)pyrazole;1-(7-ethenylsulfanyl-9,9-dimethyl-3H-fluoren-3-id-2-yl)-3-methyl-2H-imidazol-2-ide;heptakis(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-2H-benzimidazol-2-ide;1-methyl-2-phenylimidazole;2-[4-(2-methylprop-2-enoxy)benzene-6-id-1-yl]-1-(2,4,6-trimethylphenyl)imidazole;1-methyl-2-(4-prop-2-enylbenzene-6-id-1-yl)imidazole;1-methyl-3-[3-(4-prop-2-enylphenyl)benzene-6-id-1-yl]-2H-benzimidazol-2-ide;4-phenyl-1-(4-prop-2-enylbenzene-6-id-1-yl)pyrazole;2-phenyl-1-(2,4,6-trimethylphenyl)imidazole
CID 161815090

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide?
The IUPAC name of 2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide (CID 159226774) is 2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide.
What is the SMILES notation for 2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide?
The canonical SMILES for 2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide is CC1=[C-]c2cccc3cccc1c23.Cc1[c-]c(C(F)(F)F)c(F)c(C(F)(F)F)c1F.Cc1[c-]c(C(F)(F)F)cc(C(F)(F)F)c1.Cc1[c-]c(C(F)(F)F)ccc1.Cc1[c-]c(F)c(F)c(F)c1F.Cc1[c-]c2ccccc2n1C.Cc1[c-]c2ccccc2o1.Cc1[c-]c2ccccc2s1.Cc1[c-]cc(F)cc1.Cc1[c-]cc(F)cc1F.Cc1[c-]ccc(C(F)(F)F)c1.Cc1[c-]cccc1F.Cc1[c-]ccn1C.Cc1[c-]cco1.Cc1[c-]ccs1.Cc1[n-]cc2ccccc12.Cc1[n-]nc2ccccc12.Cc1cc2ccccc2[n-]1.Cc1ccc[n-]1.Cc1ccn[n-]1.Cc1nc2ccccc2[n-]1.Cc1ncc[n-]1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide?
The InChIKey is FMMOMAIJFMWAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C10H10N.C9H3F8.C9H5F6.2C9H8N.C9H7O.C9H7S.2C8H6F3.2C8H7N2.C7H3F4.C7H5F2.2C7H6F.C6H8N.C5H6N.C5H5O.C5H5S.2C4H5N2.22Ir/c1-9-8-11-6-2-4-10-5-3-7-12(9)13(10)11;1-8-7-9-5-3-4-6-10(9)11(8)2;1-3-2-4(8(12,13)14)7(11)5(6(3)10)9(15,16)17;1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;1-7-9-5-3-2-4-8(9)6-10-7;3*1-7-6-8-4-2-3-5-9(8)10-7;2*1-6-3-2-4-7(5-6)8(9,10)11;1-6-9-7-4-2-3-5-8(7)10-6;1-6-7-4-2-3-5-8(7)10-9-6;1-3-2-4(8)6(10)7(11)5(3)9;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-6-4-3-5-7(6)2;3*1-5-3-2-4-6-5;1-4-5-2-3-6-4;1-4-2-3-5-6-4;;;;;;;;;;;;;;;;;;;;;;/h2-7H,1H3;3-6H,1-2H3;1H3;2,4H,1H3;2*2-6H,1H3;2*2-5H,1H3;2,4-5H,1H3;2-4H,1H3;2*2-5H,1H3;1H3;3-4H,1H3;2,4-5H,1H3;2-3,5H,1H3;3,5H,1-2H3;2-4H,1H3;2*2,4H,1H3;2*2-3H,1H3;;;;;;;;;;;;;;;;;;;;;;/q22*-1;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide?
2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide has a molecular weight of 7170.86 g/mol, XLogP of 46.29, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-methylbenzene-6-ide;2,4-difluoro-1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;1,2-dimethyl-3H-indol-3-ide;1,2-dimethyl-3H-pyrrol-3-ide;1-fluoro-2-methylbenzene-3-ide;1-fluoro-4-methylbenzene-5-ide;docosakis(iridium);2-methyl-1H-acenaphthylen-1-ide;2-methylbenzimidazol-1-ide;2-methyl-3H-1-benzofuran-3-ide;2-methyl-3H-1-benzothiophen-3-ide;1-methyl-3,5-bis(trifluoromethyl)benzene-6-ide;2-methyl-3H-furan-3-ide;2-methylimidazol-3-ide;3-methylindazol-2-ide;2-methylindol-1-ide;1-methylisoindol-2-ide;3-methylpyrazol-2-ide;2-methylpyrrol-1-ide;2-methyl-3H-thiophen-3-ide;1-methyl-3-(trifluoromethyl)benzene-2-ide;1-methyl-3-(trifluoromethyl)benzene-6-ide;1,2,3,4-tetrafluoro-5-methylbenzene-6-ide is sourced from PubChem (CID 159226774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).