1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene

C81H112F10I2 — CID 161338746

About 1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene

1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene (PubChem CID 161338746) has the molecular formula C81H112F10I2 and a molecular weight of 1529.57 g/mol. Its IUPAC name is 1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene.

Molecular Properties

• Compound Name: 1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene
• PubChem CID: 161338746
• Molecular Formula: C81H112F10I2
• Molecular Weight: 1529.57 g/mol
• Exact Mass: 1528.67
• IUPAC Name: 1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene
• SMILES: C.C.C.CC1CCC(CC2CCC(CC3CCC(C)CC3)CC2)CC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1F.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.II
• InChI: InChI=1S/C22H40.4C8H8F2.2C8H9F.C8H10.3CH4.I2/c1-17-3-7-19(8-4-17)15-21-11-13-22(14-12-21)16-20-9-5-18(2)6-10-20;1-5-3-8(10)6(2)4-7(5)9;2*1-5-3-7(9)6(2)8(10)4-5;1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;;;;1-2/h17-22H,3-16H2,1-2H3;4*3-4H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3*1H4
• InChIKey: VMJSDVMVJJKUCL-UHFFFAOYSA-N
• XLogP: 28.42
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1529.57
LogP ≤ 5	28.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene (CID 161338746) is 1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene.

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

The canonical SMILES for 1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene is C.C.C.CC1CCC(CC2CCC(CC3CCC(C)CC3)CC2)CC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1F.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.II.

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

The InChIKey is VMJSDVMVJJKUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40.4C8H8F2.2C8H9F.C8H10.3CH4.I2/c1-17-3-7-19(8-4-17)15-21-11-13-22(14-12-21)16-20-9-5-18(2)6-10-20;1-5-3-8(10)6(2)4-7(5)9;2*1-5-3-7(9)6(2)8(10)4-5;1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;;;;1-2/h17-22H,3-16H2,1-2H3;4*3-4H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3*1H4;.

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

1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene has a molecular weight of 1529.57 g/mol, XLogP of 28.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis[(4-methylcyclohexyl)methyl]cyclohexane;bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;bis(2-fluoro-1,4-dimethylbenzene);methane;molecular iodine;1,4-xylene is sourced from PubChem (CID 161338746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).