About 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;1,4-xylene
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;1,4-xylene (PubChem CID 158557592) has the molecular formula C78H70F27N11O2
and a molecular weight of 1706.44 g/mol. Its IUPAC name is 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;1,4-xylene.
Analyze 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;1,4-xylene with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of 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;1,4-xylene?
The IUPAC name of 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;1,4-xylene (CID 158557592) is 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;1,4-xylene.
What is the SMILES notation for 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;1,4-xylene?
The canonical SMILES for 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;1,4-xylene is Cc1ccc(C#N)cc1.Cc1ccc(C(F)(F)F)cc1.Cc1ccc(C(F)(F)F)cc1O.Cc1ccc(C(F)(F)F)cn1.Cc1ccc(C(F)(F)F)nc1.Cc1ccc(C(F)(F)F)nn1.Cc1ccc(C)cc1.Cc1ccc(OC(F)(F)F)cc1.Cc1cnc(C(F)(F)F)cn1.Cc1cnc(C(F)(F)F)nc1.Cc1ncc(C(F)(F)F)cn1.
What is the InChIKey of 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;1,4-xylene?
The InChIKey is HQMFOIOTPNFSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7F3O.C8H7F3.C8H7N.C8H10.2C7H6F3N.4C6H5F3N2/c1-6-2-4-7(5-3-6)12-8(9,10)11;1-5-2-3-6(4-7(5)12)8(9,10)11;1-6-2-4-7(5-3-6)8(9,10)11;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(2)6-4-7;1-5-2-3-6(4-11-5)7(8,9)10;1-5-2-3-6(11-4-5)7(8,9)10;1-4-10-2-5(3-11-4)6(7,8)9;1-4-2-11-5(3-10-4)6(7,8)9;1-4-2-10-5(11-3-4)6(7,8)9;1-4-2-3-5(11-10-4)6(7,8)9/h2-5H,1H3;2-4,12H,1H3;2-5H,1H3;2-5H,1H3;3-6H,1-2H3;2*2-4H,1H3;4*2-3H,1H3.
What are the key properties of 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;1,4-xylene?
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;1,4-xylene has a molecular weight of 1706.44 g/mol, XLogP of 24.83, 1 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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;1,4-xylene is sourced from PubChem (CID 158557592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).