4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane

C217H333F4N13O3S5 — CID 159998163

IUPAC4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane
SMILESC.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccnc(C(F)F)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1F.CC(C)(C)c1ccsc1.CC(C)(C)n1ccnc1.CC1=CC(C(C)(C)C)=CC1.CC1=CCC=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.COc1ccc(C(C)(C)C)cn1.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)s1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccsc1C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cc1sccc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C11H15F.2C11H16.C10H13F2N.C10H15NO.2C10H17N.C10H15N.2C10H14O.2C10H16.C9H12FN.C9H13N.4C9H14S.C8H14N2.2C8H13N.C8H12S.C7H12N2.CH4/c1-8-7-9(11(2,3)4)5-6-10(8)12;2*1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-5-13-8(6-7)9(11)12;1-10(2,3)8-5-6-9(12-4)11-7-8;2*1-7-6-11-8(2)9(7)10(3,4)5;1-8-7-9(5-6-11-8)10(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-6-9(7-8)10(2,3)4;1-8-6-5-7-9(8)10(2,3)4;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)8-4-6-10-7-5-8;1-7-5-8(10-6-7)9(2,3)4;1-7-8(5-6-10-7)9(2,3)4;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-5-9-10(4)6-7;3*1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-5-4-8-6-9;/h5-7H,1-4H3;2*5-8H,1-4H3;4-6,9H,1-3H3;5-7H,1-4H3;2*6H2,1-5H3;5-7H,1-4H3;2*4-7,11H,1-3H3;2*6-7H,5H2,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5*5-6H,1-4H3;4,6H,5H2,1-3H3;4-5H,6H2,1-3H3;2*4-6H,1-3H3;1H4
InChIKeyOHUSISMFONORGB-UHFFFAOYSA-N
MW3408.47 g/mol
LogP65.49
Rot. Bonds2

About 4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane

4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane (PubChem CID 159998163) has the molecular formula C217H333F4N13O3S5 and a molecular weight of 3408.47 g/mol. Its IUPAC name is 4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane.

Molecular Properties

Compound Name4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane
PubChem CID159998163
Molecular FormulaC217H333F4N13O3S5
Molecular Weight3408.47 g/mol
Exact Mass3405.48
IUPAC Name4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane
SMILESC.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccnc(C(F)F)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1F.CC(C)(C)c1ccsc1.CC(C)(C)n1ccnc1.CC1=CC(C(C)(C)C)=CC1.CC1=CCC=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.COc1ccc(C(C)(C)C)cn1.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)s1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccsc1C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cc1sccc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C11H15F.2C11H16.C10H13F2N.C10H15NO.2C10H17N.C10H15N.2C10H14O.2C10H16.C9H12FN.C9H13N.4C9H14S.C8H14N2.2C8H13N.C8H12S.C7H12N2.CH4/c1-8-7-9(11(2,3)4)5-6-10(8)12;2*1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-5-13-8(6-7)9(11)12;1-10(2,3)8-5-6-9(12-4)11-7-8;2*1-7-6-11-8(2)9(7)10(3,4)5;1-8-7-9(5-6-11-8)10(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-6-9(7-8)10(2,3)4;1-8-6-5-7-9(8)10(2,3)4;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)8-4-6-10-7-5-8;1-7-5-8(10-6-7)9(2,3)4;1-7-8(5-6-10-7)9(2,3)4;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-5-9-10(4)6-7;3*1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-5-4-8-6-9;/h5-7H,1-4H3;2*5-8H,1-4H3;4-6,9H,1-3H3;5-7H,1-4H3;2*6H2,1-5H3;5-7H,1-4H3;2*4-7,11H,1-3H3;2*6-7H,5H2,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5*5-6H,1-4H3;4,6H,5H2,1-3H3;4-5H,6H2,1-3H3;2*4-6H,1-3H3;1H4
InChIKeyOHUSISMFONORGB-UHFFFAOYSA-N
XLogP65.49
TPSA199.22 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds2
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003408.47
LogP ≤ 565.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane 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

2-(Cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine
CID 157098868
2-(cyclohexen-1-yl)pyrazolo[1,5-a]pyridine;6-fluoro-1-phenylimidazo[1,5-a]pyridine;7-methoxy-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine;2-phenyl-3aH-pyrazolo[1,5-a]pyridin-8-ium;1-phenylimidazo[1,5-a]pyridine;3-phenylimidazo[1,5-a]pyridine;2-phenylpyrazolo[1,5-a]pyridine;2-thiophen-2-ylimidazo[1,2-a]pyridine
CID 158691264
N-(4-tert-butylphenyl)-N-pentyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-4-amine;4-(2,6-dipentoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-(3H-furan-3-id-2-yl)pyrimidine;4-[(E)-2-(5-hexylthiophen-2-yl)ethenyl]-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;2-pyrimidin-2-ylbenzenethiolate;2-pyrimidin-2-ylphenolate;2-pyrimidin-2-yl-4-(trifluoromethyl)benzenethiolate;2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate;2-[5-(2,3,4,5-tetrafluorophenyl)pyrazol-1-id-3-yl]pyridine;2-(3H-thiophen-3-id-2-yl)pyrimidine
CID 160982623
3-(4-Fluoro-3-methylphenyl)pyridazine;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;3-(2-methoxy-5-methylphenyl)pyridazine;2-(2-methoxy-5-methylphenyl)pyridine;2-(2-methoxy-5-methylphenyl)thiophene;2-(3-methylphenyl)pyrazine;3-(3-methylphenyl)pyridazine;2-(3-methylphenyl)pyridine;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole
CID 157522481
2-[5-(1-Benzothiophen-3-yl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[5-(4-fluorophenyl)-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]pyridine;2-[1-[(2-fluorophenyl)methyl]-3-(6-methoxy-2-pyridinyl)pyrazol-5-yl]pyrimidine;3-[1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazol-5-yl]benzonitrile
CID 157899087
1-(3,4-Dimethylphenyl)pyrazole;1-(4-fluoro-3-methylphenyl)triazole;2-(2-methoxy-5-methylphenyl)pyrazine;1-(2-methoxy-5-methylphenyl)pyrazole;2-(2-methoxy-5-methylphenyl)pyrimidine;2-(2-methoxy-5-methylphenyl)thiophene;4-methyl-2-(3-methylphenyl)pyrimidine;2-(3-methylphenyl)pyrazine;1-(3-methylphenyl)pyrazole;1-(3-methylphenyl)pyrrole;2-(3-methylphenyl)thiophene;1-(3-methylphenyl)triazole;1-(3-methylphenyl)-1,2,4-triazole;4-methyl-2-pyrimidin-2-ylphenol
CID 158262044
1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-1-methylcyclopenta-1,3-diene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;3-tert-butylpyridine;4-tert-butylpyridine;4-tert-butyl-2H-pyrrole
CID 158368802
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-imidazol-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-1-(4-methoxyphenyl)cyclohexane-1-carboxamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrazol-1-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-2-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-4-ylacetamide;N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-thiophen-2-ylacetamide
CID 160209723
4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);1-tert-butyl-3-fluorobenzene;4-tert-butyl-2-fluoro-1-methylbenzene;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;1-tert-butyl-4-methylbenzene;2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;3-tert-butylphenol;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole
CID 163487711

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane?
The IUPAC name of 4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane (CID 159998163) is 4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane.
What is the SMILES notation for 4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane?
The canonical SMILES for 4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane is C.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1ccc(O)cc1.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccnc(C(F)F)c1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncc1F.CC(C)(C)c1ccsc1.CC(C)(C)n1ccnc1.CC1=CC(C(C)(C)C)=CC1.CC1=CCC=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.CC1=NCC(C)=C1C(C)(C)C.COc1ccc(C(C)(C)C)cn1.Cc1cc(C(C)(C)C)ccc1F.Cc1cc(C(C)(C)C)ccn1.Cc1ccc(C(C)(C)C)s1.Cc1cccc(C(C)(C)C)c1.Cc1cccc(C(C)(C)C)c1.Cc1ccsc1C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cc1sccc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.
What is the InChIKey of 4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane?
The InChIKey is OHUSISMFONORGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F.2C11H16.C10H13F2N.C10H15NO.2C10H17N.C10H15N.2C10H14O.2C10H16.C9H12FN.C9H13N.4C9H14S.C8H14N2.2C8H13N.C8H12S.C7H12N2.CH4/c1-8-7-9(11(2,3)4)5-6-10(8)12;2*1-9-6-5-7-10(8-9)11(2,3)4;1-10(2,3)7-4-5-13-8(6-7)9(11)12;1-10(2,3)8-5-6-9(12-4)11-7-8;2*1-7-6-11-8(2)9(7)10(3,4)5;1-8-7-9(5-6-11-8)10(2,3)4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-6-4-5-7-9(8)11;1-8-5-6-9(7-8)10(2,3)4;1-8-6-5-7-9(8)10(2,3)4;1-9(2,3)7-4-5-11-6-8(7)10;1-9(2,3)8-4-6-10-7-5-8;1-7-5-8(10-6-7)9(2,3)4;1-7-8(5-6-10-7)9(2,3)4;1-7-5-6-10-8(7)9(2,3)4;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)7-5-9-10(4)6-7;3*1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-5-4-8-6-9;/h5-7H,1-4H3;2*5-8H,1-4H3;4-6,9H,1-3H3;5-7H,1-4H3;2*6H2,1-5H3;5-7H,1-4H3;2*4-7,11H,1-3H3;2*6-7H,5H2,1-4H3;4-6H,1-3H3;4-7H,1-3H3;5*5-6H,1-4H3;4,6H,5H2,1-3H3;4-5H,6H2,1-3H3;2*4-6H,1-3H3;1H4.
What are the key properties of 4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane?
4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane has a molecular weight of 3408.47 g/mol, XLogP of 65.49, 2 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(difluoromethyl)pyridine;bis(4-tert-butyl-3,5-dimethyl-2H-pyrrole);4-tert-butyl-1-fluoro-2-methylbenzene;4-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;5-tert-butyl-2-methoxypyridine;bis(1-tert-butyl-3-methylbenzene);2-tert-butyl-3-methylcyclopenta-1,3-diene;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-1-methylpyrazole;4-tert-butyl-2-methylpyridine;2-tert-butyl-3-methylthiophene;2-tert-butyl-4-methylthiophene;2-tert-butyl-5-methylthiophene;3-tert-butyl-2-methylthiophene;2-tert-butylphenol;4-tert-butylphenol;4-tert-butylpyridine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;3-tert-butylthiophene;methane is sourced from PubChem (CID 159998163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).