1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

C208H270Cl2F4N18O — CID 158312894

IUPAC1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
SMILESCC(C)c1c(F)cccc1C#N.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(F)cc1C#N.CC(C)c1ccc(F)cn1.CC(C)c1ccccc1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1ncccc1Cl.CC(C)c1ncccn1.COc1ccccc1C(C)C.Cc1cc(F)c(C(C)C)c(C#N)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/C11H12FN.2C10H10FN.2C10H11N.C10H14O.7C10H14.C9H11Cl.C9H12.C8H10ClN.C8H10FN.C8H11N.5C7H10N2/c1-7(2)11-9(6-13)4-8(3)5-10(11)12;1-7(2)10-4-3-9(11)5-8(10)6-12;1-7(2)10-8(6-12)4-3-5-9(10)11;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;4*1-8(2)10-6-4-5-9(3)7-10;3*1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7/h4-5,7H,1-3H3;2*3-5,7H,1-2H3;2*3-6,8H,1-2H3;4-8H,1-3H3;7*4-8H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;5*3-6H,1-2H3
InChIKeyGNWWPYKBDFTLNZ-UHFFFAOYSA-N
MW3185.47 g/mol
LogP60.46
Rot. Bonds24

About 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine

1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (PubChem CID 158312894) has the molecular formula C208H270Cl2F4N18O and a molecular weight of 3185.47 g/mol. Its IUPAC name is 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
PubChem CID158312894
Molecular FormulaC208H270Cl2F4N18O
Molecular Weight3185.47 g/mol
Exact Mass3182.09
IUPAC Name1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
SMILESCC(C)c1c(F)cccc1C#N.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(F)cc1C#N.CC(C)c1ccc(F)cn1.CC(C)c1ccccc1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1ncccc1Cl.CC(C)c1ncccn1.COc1ccccc1C(C)C.Cc1cc(F)c(C(C)C)c(C#N)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C
InChIInChI=1S/C11H12FN.2C10H10FN.2C10H11N.C10H14O.7C10H14.C9H11Cl.C9H12.C8H10ClN.C8H10FN.C8H11N.5C7H10N2/c1-7(2)11-9(6-13)4-8(3)5-10(11)12;1-7(2)10-4-3-9(11)5-8(10)6-12;1-7(2)10-8(6-12)4-3-5-9(10)11;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;4*1-8(2)10-6-4-5-9(3)7-10;3*1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7/h4-5,7H,1-3H3;2*3-5,7H,1-2H3;2*3-6,8H,1-2H3;4-8H,1-3H3;7*4-8H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;5*3-6H,1-2H3
InChIKeyGNWWPYKBDFTLNZ-UHFFFAOYSA-N
XLogP60.46
TPSA295.75 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms233
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003185.47
LogP ≤ 560.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-chloro-6-fluoro-4-[[4-(4-fluorophenyl)-2-methoxy-6-pyrimidin-2-yl-3-pyridinyl]methylidyneazaniumyl]phenyl]-N-[6-[5-cyano-4-(4-fluorophenyl)-6-methoxy-2-pyridinyl]-5-methyl-3-pyridinyl]-4-(4-fluorophenyl)-2-methoxypyridine-3-carbonitrilium
CID 154644680
1-Chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 157121746
2,5-Dimethylpyrazine;4-methylbenzonitrile;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)phenol;3-methyl-6-(trifluoromethyl)pyridazine;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyrimidine;5-methyl-2-(trifluoromethyl)pyrimidine
CID 157160553
3-Bromo-6-propan-2-ylpyridazine;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;2-chloro-5-propan-2-ylpyrazine;3-chloro-6-propan-2-ylpyridazine;2-chloro-3-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;3-cyclopropyl-6-propan-2-ylpyridazine;1,2-dimethyl-4-propan-2-ylbenzene;2-fluoro-1-isocyano-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;4-fluoro-3-methoxy-6-propan-2-ylpyridazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;bis(4-fluoro-3-methyl-6-propan-2-ylpyridazine);1-isocyano-2-methyl-4-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;2-methoxy-5-propan-2-ylpyrazine;1-methyl-3-propan-2-ylbenzene;tris(2-methyl-5-propan-2-ylpyrazine);tris(3-methyl-6-propan-2-ylpyridazine);2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;4-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 157350401
bis(1-chloro-2-methyl-4-propan-2-ylbenzene);4-chloro-2-methyl-1-propan-2-ylbenzene;2-chloro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;cumene;2,4-dichloro-1-propan-2-ylbenzene;1,2-difluoro-4-propan-2-ylbenzene;2-fluoro-1-methoxy-4-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;4-methoxy-2-methyl-1-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;bis(1-methyl-4-propan-2-ylbenzene);2-methyl-5-propan-2-ylpyridine;bis(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 157653688
2-(2,4-Dimethylphenyl)pyridine;2-(2,5-dimethylphenyl)pyridine;3-(2,4-dimethylphenyl)pyridine;3-(2,5-dimethylphenyl)pyridine;2-(2,4-dimethylphenyl)pyrimidine;2-(2,5-dimethylphenyl)pyrimidine;2-fluoro-1,3-dimethyl-4-phenylbenzene;2-(3-fluoro-2,4-dimethylphenyl)pyridine;bis(2-(3-fluoro-2,4-dimethylphenyl)pyrimidine);2-(3-fluoro-5-methylphenyl)-3-methylpyrazine;2-(4-fluoro-2-methylphenyl)pyridine;3-(4-fluoro-2-methylphenyl)pyridine;2-(3-fluoro-2-methylphenyl)pyrimidine;2-(4-fluoro-2-methylphenyl)pyrimidine;methane;2-(4-methoxyphenyl)-3-methylpyrazine;2-methyl-3-[3-(trifluoromethyl)phenyl]pyrazine
CID 157885073
2-Tert-butyl-3-fluoropyridine;1-chloro-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;2-propan-2-ylbenzonitrile;2-propan-2-ylpyrimidine;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158002307
Benzene;2-chloro-3-methylpyridine;3-chloro-5-methylpyridine;2-chloropyridine;2-chloro-4-(trifluoromethyl)pyridine;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);2,4-dimethylpyridine;2,6-dimethylpyridine;4,5-dimethylpyrimidine;2-methoxypyridine;3-methylpyridazine;tetrakis(2-methylpyridine);tris(3-methylpyridine);bis(4-methylpyridine);bis(2-methylpyrimidine);4-methylpyrimidine;tris(pyridine);quinoline;bis(5,6,7,8-tetrahydroquinoline);toluene
CID 158022848
1-Chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene
CID 158212558
1-chloro-2-methyl-4-propan-2-ylbenzene;tris(4-chloro-2-methyl-1-propan-2-ylbenzene);cumene;2-fluoro-4-methoxy-1-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-2-methyl-1-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;tris(1-methyl-4-propan-2-ylbenzene);tris(2-methyl-1-propan-2-yl-4-(trifluoromethyl)benzene);5-propan-2-yl-1H-imidazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;1-propan-2-yl-4-(trifluoromethyl)benzene;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 158223644
1-(Difluoromethyl)-4-methylbenzene;4-methylbenzonitrile;1-methyl-4-(trifluoromethoxy)benzene;1-methyl-4-(trifluoromethyl)benzene;2-methyl-5-(trifluoromethyl)phenol;2-methyl-5-(trifluoromethyl)pyrazine;3-methyl-6-(trifluoromethyl)pyridazine;2-methyl-5-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)pyrimidine;5-methyl-2-(trifluoromethyl)pyrimidine
CID 158501846
1-Chloro-3-propan-2-ylbenzene;2,4-difluoro-1-propan-2-ylbenzene;2,6-difluoro-3-propan-2-ylpyridine;4-fluoro-2-methyl-1-propan-2-ylbenzene;2-fluoro-4-methyl-5-propan-2-ylpyridine;5-fluoro-3-methyl-2-propan-2-ylpyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-5-(trifluoromethyl)benzene;1-isocyano-2-propan-2-ylbenzene;1-methoxy-2-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-3-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;4-methyl-5-propan-2-ylpyrimidine;5-methyl-4-propan-2-ylpyrimidine;3-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-(6-propan-2-yl-3-pyridinyl)propan-2-ol;2-propan-2-yl-5-(trifluoromethyl)pyridine;2,2,3-trimethylbutane
CID 158548710

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
The IUPAC name of 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine (CID 158312894) is 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine.
What is the SMILES notation for 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
The canonical SMILES for 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is CC(C)c1c(F)cccc1C#N.CC(C)c1ccc(C#N)cc1.CC(C)c1ccc(F)cc1C#N.CC(C)c1ccc(F)cn1.CC(C)c1ccccc1.CC(C)c1ccccc1C#N.CC(C)c1ccccc1Cl.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1ncccc1Cl.CC(C)c1ncccn1.COc1ccccc1C(C)C.Cc1cc(F)c(C(C)C)c(C#N)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.Cc1ccccc1C(C)C.
What is the InChIKey of 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
The InChIKey is GNWWPYKBDFTLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN.2C10H10FN.2C10H11N.C10H14O.7C10H14.C9H11Cl.C9H12.C8H10ClN.C8H10FN.C8H11N.5C7H10N2/c1-7(2)11-9(6-13)4-8(3)5-10(11)12;1-7(2)10-4-3-9(11)5-8(10)6-12;1-7(2)10-8(6-12)4-3-5-9(10)11;1-8(2)10-5-3-9(7-11)4-6-10;1-8(2)10-6-4-3-5-9(10)7-11;1-8(2)9-6-4-5-7-10(9)11-3;4*1-8(2)10-6-4-5-9(3)7-10;3*1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-5-3-4-6-9(8)10;1-8(2)9-6-4-3-5-7-9;1-6(2)8-7(9)4-3-5-10-8;1-6(2)8-4-3-7(9)5-10-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7/h4-5,7H,1-3H3;2*3-5,7H,1-2H3;2*3-6,8H,1-2H3;4-8H,1-3H3;7*4-8H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-7H,1-2H3;5*3-6H,1-2H3.
What are the key properties of 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine?
1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine has a molecular weight of 3185.47 g/mol, XLogP of 60.46, 24 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-propan-2-ylbenzene;3-chloro-2-propan-2-ylpyridine;cumene;3-fluoro-5-methyl-2-propan-2-ylbenzonitrile;3-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylbenzonitrile;5-fluoro-2-propan-2-ylpyridine;1-methoxy-2-propan-2-ylbenzene;tris(1-methyl-2-propan-2-ylbenzene);tetrakis(1-methyl-3-propan-2-ylbenzene);2-propan-2-ylbenzonitrile;4-propan-2-ylbenzonitrile;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine is sourced from PubChem (CID 158312894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).