1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene)

C156H228F3N19O7 — CID 167670442

About 1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene)

1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene) (PubChem CID 167670442) has the molecular formula C156H228F3N19O7 and a molecular weight of 2538.66 g/mol. Its IUPAC name is 1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene).

Molecular Properties

• Compound Name: 1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene)
• PubChem CID: 167670442
• Molecular Formula: C156H228F3N19O7
• Molecular Weight: 2538.66 g/mol
• Exact Mass: 2536.80
• IUPAC Name: 1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene)
• SMILES: CC(=O)N(C)C.CC(=O)N1CCC(C)CC1.CC(=O)N1CCCCC1.CC(=O)N1CCN(C)CC1.CC(=O)Nc1ccccc1.CC1CC1.CC1CCN(C(C)C)CC1.CN1CCN(C)CC1.CN1CCNCC1.COc1ccc(C)cc1.COc1cccc(C)c1.Cc1cc(F)cc(F)c1.Cc1ccc(C#N)cc1.Cc1ccc(F)cc1.Cc1cccc(C)c1.Cc1cccc(C)c1.Cc1cccc(C)c1.Cc1cccc(C)c1.Cc1ccccc1.Cc1cccnc1.Cc1ccncn1.Cc1cnccn1.Cc1cnn(C)c1
• InChI: InChI=1S/C9H19N.C8H15NO.C8H9NO.C8H7N.2C8H10O.4C8H10.C7H6F2.C7H7F.C7H14N2O.C7H13NO.C7H8.C6H14N2.C6H7N.C5H8N2.C5H12N2.2C5H6N2.C4H9NO.C4H8/c1-8(2)10-6-4-9(3)5-7-10;1-7-3-5-9(6-4-7)8(2)10;1-7(10)9-8-5-3-2-4-6-8;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;4*1-7-4-3-5-8(2)6-7;1-5-2-6(8)4-7(9)3-5;1-6-2-4-7(8)5-3-6;1-7(10)9-5-3-8(2)4-6-9;1-7(9)8-5-3-2-4-6-8;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;1-5-3-6-7(2)4-5;1-7-4-2-6-3-5-7;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-4(6)5(2)3;1-4-2-3-4/h8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2-6H,1H3,(H,9,10);2-5H,1H3;2*3-6H,1-2H3;4*3-6H,1-2H3;2-4H,1H3;2-5H,1H3;3-6H2,1-2H3;2-6H2,1H3;2-6H,1H3;3-6H2,1-2H3;2-5H,1H3;3-4H,1-2H3;6H,2-5H2,1H3;2*2-4H,1H3;1-3H3;4H,2-3H2,1H3
• InChIKey: UAHIKRUBMIEZKH-UHFFFAOYSA-N
• XLogP: 31.91
• TPSA: 263.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 4
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2538.66
LogP ≤ 5	31.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene)?

The IUPAC name of 1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene) (CID 167670442) is 1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene).

What is the SMILES notation for 1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene)?

The canonical SMILES for 1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene) is CC(=O)N(C)C.CC(=O)N1CCC(C)CC1.CC(=O)N1CCCCC1.CC(=O)N1CCN(C)CC1.CC(=O)Nc1ccccc1.CC1CC1.CC1CCN(C(C)C)CC1.CN1CCN(C)CC1.CN1CCNCC1.COc1ccc(C)cc1.COc1cccc(C)c1.Cc1cc(F)cc(F)c1.Cc1ccc(C#N)cc1.Cc1ccc(F)cc1.Cc1cccc(C)c1.Cc1cccc(C)c1.Cc1cccc(C)c1.Cc1cccc(C)c1.Cc1ccccc1.Cc1cccnc1.Cc1ccncn1.Cc1cnccn1.Cc1cnn(C)c1.

What is the InChIKey of 1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene)?

The InChIKey is UAHIKRUBMIEZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C8H15NO.C8H9NO.C8H7N.2C8H10O.4C8H10.C7H6F2.C7H7F.C7H14N2O.C7H13NO.C7H8.C6H14N2.C6H7N.C5H8N2.C5H12N2.2C5H6N2.C4H9NO.C4H8/c1-8(2)10-6-4-9(3)5-7-10;1-7-3-5-9(6-4-7)8(2)10;1-7(10)9-8-5-3-2-4-6-8;1-7-2-4-8(6-9)5-3-7;1-7-3-5-8(9-2)6-4-7;1-7-4-3-5-8(6-7)9-2;4*1-7-4-3-5-8(2)6-7;1-5-2-6(8)4-7(9)3-5;1-6-2-4-7(8)5-3-6;1-7(10)9-5-3-8(2)4-6-9;1-7(9)8-5-3-2-4-6-8;1-7-5-3-2-4-6-7;1-7-3-5-8(2)6-4-7;1-6-3-2-4-7-5-6;1-5-3-6-7(2)4-5;1-7-4-2-6-3-5-7;1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-4(6)5(2)3;1-4-2-3-4/h8-9H,4-7H2,1-3H3;7H,3-6H2,1-2H3;2-6H,1H3,(H,9,10);2-5H,1H3;2*3-6H,1-2H3;4*3-6H,1-2H3;2-4H,1H3;2-5H,1H3;3-6H2,1-2H3;2-6H2,1H3;2-6H,1H3;3-6H2,1-2H3;2-5H,1H3;3-4H,1-2H3;6H,2-5H2,1H3;2*2-4H,1H3;1-3H3;4H,2-3H2,1H3.

What are the key properties of 1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene)?

1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene) has a molecular weight of 2538.66 g/mol, XLogP of 31.91, 4 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-5-methylbenzene;N,N-dimethylacetamide;1,4-dimethylpiperazine;1,4-dimethylpyrazole;1-fluoro-4-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;4-methylbenzonitrile;methylcyclopropane;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;1-(4-methylpiperidin-1-yl)ethanone;4-methyl-1-propan-2-ylpiperidine;2-methylpyrazine;3-methylpyridine;4-methylpyrimidine;N-phenylacetamide;1-piperidin-1-ylethanone;toluene;tetrakis(1,3-xylene) is sourced from PubChem (CID 167670442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).