2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene

C137H160ClF6N13 — CID 162014788

About 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene

2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene (PubChem CID 162014788) has the molecular formula C137H160ClF6N13 and a molecular weight of 2138.32 g/mol. Its IUPAC name is 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene.

Molecular Properties

• Compound Name: 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene
• PubChem CID: 162014788
• Molecular Formula: C137H160ClF6N13
• Molecular Weight: 2138.32 g/mol
• Exact Mass: 2136.25
• IUPAC Name: 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene
• SMILES: Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1N.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cccc(C)c1.Cc1ccnc(C)c1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)c1.[C-]#[N+]c1cc(C)c(C)cc1C.[C-]#[N+]c1cc(C)ccc1C.[C-]#[N+]c1cc(C)ccc1C
• InChI: InChI=1S/C12H12.C10H11N.C9H9F3.2C9H9N.C9H12.C8H9Cl.C8H8F2.C8H10FN.2C8H10.3C7H9N.3C6H8N2/c1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-5-9(3)10(11-4)6-8(7)2;1-6-3-4-7(2)8(5-6)9(10,11)12;2*1-7-4-5-8(2)9(6-7)10-3;1-7-4-5-8(2)9(3)6-7;1-6-3-4-7(2)8(9)5-6;1-5-3-7(9)6(2)8(10)4-5;1-5-4-8(10)6(2)3-7(5)9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-7(2)5-8-4-6;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5/h3-8H,1-2H3;5-6H,1-3H3;3-5H,1-2H3;2*4-6H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;3-4H,10H2,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3;3*3-4H,1-2H3
• InChIKey: YTYNYXPSLWFSKF-UHFFFAOYSA-N
• XLogP: 38.81
• TPSA: 155.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2138.32
LogP ≤ 5	38.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene?

The IUPAC name of 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene (CID 162014788) is 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene.

What is the SMILES notation for 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene?

The canonical SMILES for 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene is Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1N.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c2ccccc12.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nn1.Cc1cccc(C)c1.Cc1ccnc(C)c1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.Cc1cncc(C)c1.[C-]#[N+]c1cc(C)c(C)cc1C.[C-]#[N+]c1cc(C)ccc1C.[C-]#[N+]c1cc(C)ccc1C.

What is the InChIKey of 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene?

The InChIKey is YTYNYXPSLWFSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C10H11N.C9H9F3.2C9H9N.C9H12.C8H9Cl.C8H8F2.C8H10FN.2C8H10.3C7H9N.3C6H8N2/c1-9-7-8-10(2)12-6-4-3-5-11(9)12;1-7-5-9(3)10(11-4)6-8(7)2;1-6-3-4-7(2)8(5-6)9(10,11)12;2*1-7-4-5-8(2)9(6-7)10-3;1-7-4-5-8(2)9(3)6-7;1-6-3-4-7(2)8(9)5-6;1-5-3-7(9)6(2)8(10)4-5;1-5-4-8(10)6(2)3-7(5)9;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-6-3-7(2)5-8-4-6;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-5-3-4-6(2)8-7-5/h3-8H,1-2H3;5-6H,1-3H3;3-5H,1-2H3;2*4-6H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;3-4H,1-2H3;3-4H,10H2,1-2H3;2*3-6H,1-2H3;3*3-5H,1-2H3;3*3-4H,1-2H3.

What are the key properties of 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene?

2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene has a molecular weight of 2138.32 g/mol, XLogP of 38.81, 0 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-dimethylnaphthalene;2,5-dimethylpyrazine;3,6-dimethylpyridazine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,5-dimethylpyridine;2,5-dimethylpyrimidine;1,4-dimethyl-2-(trifluoromethyl)benzene;4-fluoro-2,5-dimethylaniline;bis(2-isocyano-1,4-dimethylbenzene);1-isocyano-2,4,5-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 162014788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).