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

C180H275F4N11O3S3 — CID 163487711

IUPAC4-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
SMILESCC(C)(C)C1=CC=NC1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccnc(C(F)F)c1.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)ccn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccsc1C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cc1sccc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C11H15F.C11H16.C10H13F2N.C10H13F.C10H15NO.2C10H17N.C10H15N.2C10H14O.2C10H16.3C9H14S.C8H14N2.2C8H13N.C7H12N2/c1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)7-4-5-13-8(6-7)9(11)12;1-10(2,3)8-5-4-6-9(11)7-8;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)8-5-4-6-9(11)7-8;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;1-7-5-8(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;1-8(2,3)7-5-9-10(4)6-7;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-5-4-8-6-9/h5-7H,1-4H3;5-8H,1-4H3;4-6,9H,1-3H3;4-7H,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*5-6H,1-4H3;4,6H,5H2,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3
InChIKeyCJYJJOPFDWCMBO-UHFFFAOYSA-N
MW2813.45 g/mol
LogP53.39
Rot. Bonds2

About 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

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 (PubChem CID 163487711) has the molecular formula C180H275F4N11O3S3 and a molecular weight of 2813.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID163487711
Molecular FormulaC180H275F4N11O3S3
Molecular Weight2813.45 g/mol
Exact Mass2811.08
IUPAC Name4-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
SMILESCC(C)(C)C1=CC=NC1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccnc(C(F)F)c1.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)ccn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.Cc1ccsc1C(C)(C)C.Cc1csc(C(C)(C)C)c1.Cc1sccc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1
InChIInChI=1S/C11H15F.C11H16.C10H13F2N.C10H13F.C10H15NO.2C10H17N.C10H15N.2C10H14O.2C10H16.3C9H14S.C8H14N2.2C8H13N.C7H12N2/c1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)7-4-5-13-8(6-7)9(11)12;1-10(2,3)8-5-4-6-9(11)7-8;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)8-5-4-6-9(11)7-8;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;1-7-5-8(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;1-8(2,3)7-5-9-10(4)6-7;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-5-4-8-6-9/h5-7H,1-4H3;5-8H,1-4H3;4-6,9H,1-3H3;4-7H,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*5-6H,1-4H3;4,6H,5H2,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3
InChIKeyCJYJJOPFDWCMBO-UHFFFAOYSA-N
XLogP53.39
TPSA173.44 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds2
Heavy Atoms201
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002813.45
LogP ≤ 553.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze 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 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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C1=CC=NC1.CC(C)(C)C1=CCN=C1.CC(C)(C)c1cccc(F)c1.CC(C)(C)c1cccc(O)c1.CC(C)(C)c1ccccc1O.CC(C)(C)c1ccnc(C(F)F)c1.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)ccn1.Cc1ccc(C(C)(C)C)cc1.Cc1ccc(C(C)(C)C)cc1F.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);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?
The InChIKey is CJYJJOPFDWCMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F.C11H16.C10H13F2N.C10H13F.C10H15NO.2C10H17N.C10H15N.2C10H14O.2C10H16.3C9H14S.C8H14N2.2C8H13N.C7H12N2/c1-8-5-6-9(7-10(8)12)11(2,3)4;1-9-5-7-10(8-6-9)11(2,3)4;1-10(2,3)7-4-5-13-8(6-7)9(11)12;1-10(2,3)8-5-4-6-9(11)7-8;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)8-5-4-6-9(11)7-8;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;1-7-5-8(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;1-8(2,3)7-5-9-10(4)6-7;2*1-8(2,3)7-4-5-9-6-7;1-7(2,3)9-5-4-8-6-9/h5-7H,1-4H3;5-8H,1-4H3;4-6,9H,1-3H3;4-7H,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*5-6H,1-4H3;4,6H,5H2,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 2813.45 g/mol, XLogP of 53.39, 2 rotatable bonds, 2 hydrogen bond donors, and 17 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);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 is sourced from PubChem (CID 163487711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).