2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine

C124H79Cl19F53N15O3Ti9-6 — CID 161110508

IUPAC2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C/N=C/c1ccc[n-]1.Cc1cccc(/C=N/c2cc(C(F)(F)C(F)(F)F)cc(C(F)(F)C(F)(F)F)c2)c1O.Cc1cccc(/C=N/c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1O.Cc1cccc(/C=N/c2ccc(C(F)(F)C(F)(F)F)cc2)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Clc1ccccc1/N=C/c1ccc[n-]1.FC(F)(F)c1ccccc1/N=C/c1ccc[n-]1.Fc1c(F)c(C(F)(F)F)c(F)c(F)c1/N=C/c1ccc[n-]1.Fc1cccc(F)c1/N=C/c1ccc[n-]1.Fc1ccccc1/N=C/c1ccc[n-]1
InChIInChI=1S/C20H12F13NO.C18H11F10NO.C16H12F5NO.C13H9F12N2.C12H4F7N2.C12H8F3N2.C11H8ClN2.C11H7F2N2.C11H8FN2.18ClH.9Ti/c1-10-3-2-4-11(14(10)35)9-34-13-7-5-12(6-8-13)15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33;1-9-3-2-4-10(14(9)30)8-29-13-6-11(15(19,20)17(23,24)25)5-12(7-13)16(21,22)18(26,27)28;1-10-3-2-4-11(14(10)23)9-22-13-7-5-12(6-8-13)15(17,18)16(19,20)21;1-8(14,15)10(18,19)12(22,23)13(24,25)11(20,21)9(16,17)6-26-5-7-3-2-4-27-7;13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-4-5-2-1-3-20-5;13-12(14,15)10-5-1-2-6-11(10)17-8-9-4-3-7-16-9;12-10-5-1-2-6-11(10)14-8-9-4-3-7-13-9;12-9-4-1-5-10(13)11(9)15-7-8-3-2-6-14-8;12-10-5-1-2-6-11(10)14-8-9-4-3-7-13-9;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-9,35H,1H3;2-8,30H,1H3;2-9,23H,1H3;2-5H,6H2,1H3;1-4H;1-8H;1-8H;1-7H;1-8H;18*1H;;;;;;;;;/q;;;6*-1;;;;;;;;;;;;;;;;;;;9*+2/p-18/b34-9+;29-8+;22-9+;26-5+;21-4+;17-8+;14-8+;15-7+;14-8+;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyHFYQPQHVKXRCQV-FIJGGYHJSA-A
MW3938.40 g/mol
LogP52.43
Rot. Bonds32

About 2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine

2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 161110508) has the molecular formula C124H79Cl19F53N15O3Ti9-6 and a molecular weight of 3938.40 g/mol. Its IUPAC name is 2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID161110508
Molecular FormulaC124H79Cl19F53N15O3Ti9-6
Molecular Weight3938.40 g/mol
Exact Mass3928.51
IUPAC Name2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C/N=C/c1ccc[n-]1.Cc1cccc(/C=N/c2cc(C(F)(F)C(F)(F)F)cc(C(F)(F)C(F)(F)F)c2)c1O.Cc1cccc(/C=N/c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1O.Cc1cccc(/C=N/c2ccc(C(F)(F)C(F)(F)F)cc2)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Clc1ccccc1/N=C/c1ccc[n-]1.FC(F)(F)c1ccccc1/N=C/c1ccc[n-]1.Fc1c(F)c(C(F)(F)F)c(F)c(F)c1/N=C/c1ccc[n-]1.Fc1cccc(F)c1/N=C/c1ccc[n-]1.Fc1ccccc1/N=C/c1ccc[n-]1
InChIInChI=1S/C20H12F13NO.C18H11F10NO.C16H12F5NO.C13H9F12N2.C12H4F7N2.C12H8F3N2.C11H8ClN2.C11H7F2N2.C11H8FN2.18ClH.9Ti/c1-10-3-2-4-11(14(10)35)9-34-13-7-5-12(6-8-13)15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33;1-9-3-2-4-10(14(9)30)8-29-13-6-11(15(19,20)17(23,24)25)5-12(7-13)16(21,22)18(26,27)28;1-10-3-2-4-11(14(10)23)9-22-13-7-5-12(6-8-13)15(17,18)16(19,20)21;1-8(14,15)10(18,19)12(22,23)13(24,25)11(20,21)9(16,17)6-26-5-7-3-2-4-27-7;13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-4-5-2-1-3-20-5;13-12(14,15)10-5-1-2-6-11(10)17-8-9-4-3-7-16-9;12-10-5-1-2-6-11(10)14-8-9-4-3-7-13-9;12-9-4-1-5-10(13)11(9)15-7-8-3-2-6-14-8;12-10-5-1-2-6-11(10)14-8-9-4-3-7-13-9;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-9,35H,1H3;2-8,30H,1H3;2-9,23H,1H3;2-5H,6H2,1H3;1-4H;1-8H;1-8H;1-7H;1-8H;18*1H;;;;;;;;;/q;;;6*-1;;;;;;;;;;;;;;;;;;;9*+2/p-18/b34-9+;29-8+;22-9+;26-5+;21-4+;17-8+;14-8+;15-7+;14-8+;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyHFYQPQHVKXRCQV-FIJGGYHJSA-A
XLogP52.43
TPSA256.53 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003938.40
LogP ≤ 552.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine with MolForge

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Related Compounds

2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;2-[[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-cyclopenta-1,3-dien-1-ylmethanimine;1-cyclopenta-1,3-dien-1-yl-N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)methanimine;1-cyclopenta-1,3-dien-1-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;decakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine
CID 157307962
decakis(dichlorotitanium);3-(2,6-difluorophenyl)imino-1,3-diphenylprop-1-en-1-ol;4-(2,6-difluorophenyl)imino-4-phenylbut-2-en-2-ol;N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;1,3-diphenyl-3-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]iminoprop-1-en-1-ol;4-(2,3,4,5,6-pentafluorophenyl)imino-4-phenylbut-2-en-2-ol;N-(2,3,4,5,6-pentafluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;4-phenyl-4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]iminobut-2-en-2-ol;4-phenyl-4-(2,4,6-trifluorophenyl)iminobut-2-en-2-ol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-(2,4,6-trifluorophenyl)methanimine
CID 158857449
2,6-Ditert-butyl-4-methylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,5-dimethylpyrrol-1-ide;bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;bis(pyrrol-1-ide);tris(1,1,1-trifluoro-2-methylpropan-2-ol)
CID 159060662
Bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide)
CID 159304278
Bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);bis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);tris(2,5-dimethylpyrrol-1-ide);tetrakis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(pyrrol-1-ide)
CID 159980945
Bis(2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);bis([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminotungsten;tris(pyrrol-1-ide)
CID 160026317
1-Adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;bis(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 160469461
[2-Chloro-6-(trifluoromethyl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;bis(2,5-dimethylpyrrol-1-ide);tris(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;2-[2,4-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;2-methylpropane;bis(pyrrol-1-ide)
CID 160583133
Tris(1-adamantylimino(2,2-dimethylpropylidene)molybdenum);(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);bis(1-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalen-2-ol);2,6-diphenylphenol;2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol;2-methylpyrrol-1-ide
CID 160588392
(2,6-Dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;2,6-diphenylphenol;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;bis(2-[4-methyl-2,6-di(propan-2-yl)phenyl]-6-[2,4,6-tri(propan-2-yl)phenyl]phenol);(2-methyl-2-phenylpropylidene)-[2-(trifluoromethyl)phenyl]iminomolybdenum;bis(pyrrol-1-ide)
CID 160923556
1-Adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)molybdenum;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,2-dimethylpropylidene-[2-(trifluoromethyl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);tris(3-fluoro-1-(3-fluoro-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol);pyrrol-1-ide
CID 161423436
2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-tert-butylphenol;2-[[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]-6-tert-butylphenol;2-tert-butyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-tert-butyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;octakis(dichlorotitanium);N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine
CID 161969573

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine (CID 161110508) is 2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C/N=C/c1ccc[n-]1.Cc1cccc(/C=N/c2cc(C(F)(F)C(F)(F)F)cc(C(F)(F)C(F)(F)F)c2)c1O.Cc1cccc(/C=N/c2ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)c1O.Cc1cccc(/C=N/c2ccc(C(F)(F)C(F)(F)F)cc2)c1O.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Cl[Ti]Cl.Clc1ccccc1/N=C/c1ccc[n-]1.FC(F)(F)c1ccccc1/N=C/c1ccc[n-]1.Fc1c(F)c(C(F)(F)F)c(F)c(F)c1/N=C/c1ccc[n-]1.Fc1cccc(F)c1/N=C/c1ccc[n-]1.Fc1ccccc1/N=C/c1ccc[n-]1.
What is the InChIKey of 2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is HFYQPQHVKXRCQV-FIJGGYHJSA-A. The full InChI is InChI=1S/C20H12F13NO.C18H11F10NO.C16H12F5NO.C13H9F12N2.C12H4F7N2.C12H8F3N2.C11H8ClN2.C11H7F2N2.C11H8FN2.18ClH.9Ti/c1-10-3-2-4-11(14(10)35)9-34-13-7-5-12(6-8-13)15(21,22)16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33;1-9-3-2-4-10(14(9)30)8-29-13-6-11(15(19,20)17(23,24)25)5-12(7-13)16(21,22)18(26,27)28;1-10-3-2-4-11(14(10)23)9-22-13-7-5-12(6-8-13)15(17,18)16(19,20)21;1-8(14,15)10(18,19)12(22,23)13(24,25)11(20,21)9(16,17)6-26-5-7-3-2-4-27-7;13-7-6(12(17,18)19)8(14)10(16)11(9(7)15)21-4-5-2-1-3-20-5;13-12(14,15)10-5-1-2-6-11(10)17-8-9-4-3-7-16-9;12-10-5-1-2-6-11(10)14-8-9-4-3-7-13-9;12-9-4-1-5-10(13)11(9)15-7-8-3-2-6-14-8;12-10-5-1-2-6-11(10)14-8-9-4-3-7-13-9;;;;;;;;;;;;;;;;;;;;;;;;;;;/h2-9,35H,1H3;2-8,30H,1H3;2-9,23H,1H3;2-5H,6H2,1H3;1-4H;1-8H;1-8H;1-7H;1-8H;18*1H;;;;;;;;;/q;;;6*-1;;;;;;;;;;;;;;;;;;;9*+2/p-18/b34-9+;29-8+;22-9+;26-5+;21-4+;17-8+;14-8+;15-7+;14-8+;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of 2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine?
2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine has a molecular weight of 3938.40 g/mol, XLogP of 52.43, 32 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]-6-methylphenol;N-(2-chlorophenyl)-1-pyrrol-1-id-2-ylmethanimine;nonakis(dichlorotitanium);N-(2,6-difluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorooctyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-fluorophenyl)-1-pyrrol-1-id-2-ylmethanimine;2-methyl-6-[[4-(1,1,2,2,2-pentafluoroethyl)phenyl]iminomethyl]phenol;2-methyl-6-[[4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]iminomethyl]phenol;1-pyrrol-1-id-2-yl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 161110508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).