1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)

C85H151F3 — CID 161434306

About 1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)

1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene) (PubChem CID 161434306) has the molecular formula C85H151F3 and a molecular weight of 1230.14 g/mol. Its IUPAC name is 1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene).

Molecular Properties

• Compound Name: 1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)
• PubChem CID: 161434306
• Molecular Formula: C85H151F3
• Molecular Weight: 1230.14 g/mol
• Exact Mass: 1229.18
• IUPAC Name: 1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)
• SMILES: C.C.C.C.C.C.C.C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C2CCC(C)CC2)CC1.Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C2CCC(C)CC2)cc1
• InChI: InChI=1S/C14H26.C14H20.C8H8F2.C8H9F.2C8H16.2C8H10.9CH4/c2*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;4*1-7-3-5-8(2)6-4-7;;;;;;;;;/h11-14H,3-10H2,1-2H3;3-4,7-8,12,14H,5-6,9-10H2,1-2H3;3-4H,1-2H3;3-5H,1-2H3;2*7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;9*1H4
• InChIKey: VYKZTHDZKXQMSH-UHFFFAOYSA-N
• XLogP: 29.95
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1230.14
LogP ≤ 5	29.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)?

The IUPAC name of 1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene) (CID 161434306) is 1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene).

What is the SMILES notation for 1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)?

The canonical SMILES for 1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene) is C.C.C.C.C.C.C.C.C.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C2CCC(C)CC2)CC1.Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C2CCC(C)CC2)cc1.

What is the InChIKey of 1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)?

The InChIKey is VYKZTHDZKXQMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26.C14H20.C8H8F2.C8H9F.2C8H16.2C8H10.9CH4/c2*1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-5-3-7(9)6(2)8(10)4-5;1-6-3-4-7(2)8(9)5-6;4*1-7-3-5-8(2)6-4-7;;;;;;;;;/h11-14H,3-10H2,1-2H3;3-4,7-8,12,14H,5-6,9-10H2,1-2H3;3-4H,1-2H3;3-5H,1-2H3;2*7-8H,3-6H2,1-2H3;2*3-6H,1-2H3;9*1H4.

What are the key properties of 1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene)?

1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene) has a molecular weight of 1230.14 g/mol, XLogP of 29.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-2,5-dimethylbenzene;bis(1,4-dimethylcyclohexane);2-fluoro-1,4-dimethylbenzene;methane;1-methyl-4-(4-methylcyclohexyl)benzene;1-methyl-4-(4-methylcyclohexyl)cyclohexane;bis(1,4-xylene) is sourced from PubChem (CID 161434306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).