2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene

C94H99ClF20O — CID 161122211

About 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene

2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene (PubChem CID 161122211) has the molecular formula C94H99ClF20O and a molecular weight of 1660.24 g/mol. Its IUPAC name is 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene.

Molecular Properties

• Compound Name: 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene
• PubChem CID: 161122211
• Molecular Formula: C94H99ClF20O
• Molecular Weight: 1660.24 g/mol
• Exact Mass: 1658.71
• IUPAC Name: 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene
• SMILES: CC(=O)c1cc(C)ccc1C.Cc1c(F)c(F)c(C)c(F)c1F.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1F.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(C)c(C(F)(F)F)c1C(F)(F)F.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1
• InChI: InChI=1S/C10H8F6.C10H12O.C9H9F3.C9H12.C8H9Cl.C8H6F4.3C8H8F2.C8H9F.C8H10/c1-5-3-4-6(2)8(10(14,15)16)7(5)9(11,12)13;1-7-4-5-8(2)10(6-7)9(3)11;1-6-3-4-7(2)8(5-6)9(10,11)12;1-7-4-5-8(2)9(3)6-7;1-6-3-4-7(2)8(9)5-6;1-3-5(9)7(11)4(2)8(12)6(3)10;1-5-3-8(10)6(2)4-7(5)9;1-5-3-7(9)6(2)8(10)4-5;1-5-3-4-6(2)8(10)7(5)9;1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7/h3-4H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;1-2H3;3*3-4H,1-2H3;3-5H,1-2H3;3-6H,1-2H3
• InChIKey: ULCFNRZGPQNCNS-UHFFFAOYSA-N
• XLogP: 31.09
• TPSA: 17.07 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1660.24
LogP ≤ 5	31.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', '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-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene?

The IUPAC name of 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene (CID 161122211) is 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene.

What is the SMILES notation for 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene?

The canonical SMILES for 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene is CC(=O)c1cc(C)ccc1C.Cc1c(F)c(F)c(C)c(F)c1F.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1F.Cc1ccc(C)c(C(F)(F)F)c1.Cc1ccc(C)c(C(F)(F)F)c1C(F)(F)F.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.

What is the InChIKey of 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene?

The InChIKey is ULCFNRZGPQNCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6.C10H12O.C9H9F3.C9H12.C8H9Cl.C8H6F4.3C8H8F2.C8H9F.C8H10/c1-5-3-4-6(2)8(10(14,15)16)7(5)9(11,12)13;1-7-4-5-8(2)10(6-7)9(3)11;1-6-3-4-7(2)8(5-6)9(10,11)12;1-7-4-5-8(2)9(3)6-7;1-6-3-4-7(2)8(9)5-6;1-3-5(9)7(11)4(2)8(12)6(3)10;1-5-3-8(10)6(2)4-7(5)9;1-5-3-7(9)6(2)8(10)4-5;1-5-3-4-6(2)8(10)7(5)9;1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7/h3-4H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;4-6H,1-3H3;3-5H,1-2H3;1-2H3;3*3-4H,1-2H3;3-5H,1-2H3;3-6H,1-2H3.

What are the key properties of 2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene?

2-chloro-1,4-dimethylbenzene;1,3-difluoro-2,5-dimethylbenzene;1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene has a molecular weight of 1660.24 g/mol, XLogP of 31.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 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-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethyl-2,3-bis(trifluoromethyl)benzene;1-(2,5-dimethylphenyl)ethanone;1,4-dimethyl-2-(trifluoromethyl)benzene;2-fluoro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2,4-trimethylbenzene;1,4-xylene is sourced from PubChem (CID 161122211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).