bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen

C180H272Cl3F19O4 — CID 158630517

About bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen

bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen (PubChem CID 158630517) has the molecular formula C180H272Cl3F19O4 and a molecular weight of 2967.47 g/mol. Its IUPAC name is bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen.

Molecular Properties

• Compound Name: bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen
• PubChem CID: 158630517
• Molecular Formula: C180H272Cl3F19O4
• Molecular Weight: 2967.47 g/mol
• Exact Mass: 2963.98
• IUPAC Name: bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen
• SMILES: Cc1ccc(C)c(F)c1F.Cc1ccc(C)c(F)c1F.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(Cl)c1F.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1Cl.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1Cl.Cc1ccc(CCC2CCC(C)CC2)c(F)c1F.Cc1ccc(CCC2CCC(C)CC2)c(F)c1F.Cc1ccc(COC2CCC(C)CC2)c(F)c1F.Cc1ccc(COC2CCC(C3CCC(C)CC3)CC2)c(F)c1F.Cc1ccc(OCC2CCC(C)CC2)c(F)c1F.Cc1ccc(OCC2CCC(C3CCC(C)CC3)CC2)c(F)c1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/2C21H30F2O.3C20H28ClF.2C16H22F2.2C15H20F2O.2C8H8F2.14H2/c1-14-3-8-17(9-4-14)18-10-6-16(7-11-18)13-24-19-12-5-15(2)20(22)21(19)23;1-14-3-6-16(7-4-14)17-9-11-19(12-10-17)24-13-18-8-5-15(2)20(22)21(18)23;1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)20(22)19(18)21;2*1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(21)20(18)22;2*1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(17)16(14)18;1-10-3-7-13(8-4-10)18-9-12-6-5-11(2)14(16)15(12)17;1-10-3-6-12(7-4-10)9-18-13-8-5-11(2)14(16)15(13)17;2*1-5-3-4-6(2)8(10)7(5)9;;;;;;;;;;;;;;/h5,12,14,16-18H,3-4,6-11,13H2,1-2H3;5,8,14,16-17,19H,3-4,6-7,9-13H2,1-2H3;3*5,12-13,15-17H,3-4,6-11H2,1-2H3;2*5,9,11,13H,3-4,6-8,10H2,1-2H3;5-6,10,13H,3-4,7-9H2,1-2H3;5,8,10,12H,3-4,6-7,9H2,1-2H3;2*3-4H,1-2H3;14*1H
• InChIKey: HZDDBLFNFUCDIW-UHFFFAOYSA-N
• XLogP: 60.64
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 26
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2967.47
LogP ≤ 5	60.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen?

The IUPAC name of bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen (CID 158630517) is bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen.

What is the SMILES notation for bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen?

The canonical SMILES for bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen is Cc1ccc(C)c(F)c1F.Cc1ccc(C)c(F)c1F.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(Cl)c1F.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1Cl.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(F)c1Cl.Cc1ccc(CCC2CCC(C)CC2)c(F)c1F.Cc1ccc(CCC2CCC(C)CC2)c(F)c1F.Cc1ccc(COC2CCC(C)CC2)c(F)c1F.Cc1ccc(COC2CCC(C3CCC(C)CC3)CC2)c(F)c1F.Cc1ccc(OCC2CCC(C)CC2)c(F)c1F.Cc1ccc(OCC2CCC(C3CCC(C)CC3)CC2)c(F)c1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen?

The InChIKey is HZDDBLFNFUCDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H30F2O.3C20H28ClF.2C16H22F2.2C15H20F2O.2C8H8F2.14H2/c1-14-3-8-17(9-4-14)18-10-6-16(7-11-18)13-24-19-12-5-15(2)20(22)21(19)23;1-14-3-6-16(7-4-14)17-9-11-19(12-10-17)24-13-18-8-5-15(2)20(22)21(18)23;1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)20(22)19(18)21;2*1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)18-12-5-14(2)19(21)20(18)22;2*1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(17)16(14)18;1-10-3-7-13(8-4-10)18-9-12-6-5-11(2)14(16)15(12)17;1-10-3-6-12(7-4-10)9-18-13-8-5-11(2)14(16)15(13)17;2*1-5-3-4-6(2)8(10)7(5)9;;;;;;;;;;;;;;/h5,12,14,16-18H,3-4,6-11,13H2,1-2H3;5,8,14,16-17,19H,3-4,6-7,9-13H2,1-2H3;3*5,12-13,15-17H,3-4,6-11H2,1-2H3;2*5,9,11,13H,3-4,6-8,10H2,1-2H3;5-6,10,13H,3-4,7-9H2,1-2H3;5,8,10,12H,3-4,6-7,9H2,1-2H3;2*3-4H,1-2H3;14*1H.

What are the key properties of bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen?

bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen has a molecular weight of 2967.47 g/mol, XLogP of 60.64, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;bis(2,3-difluoro-1,4-dimethylbenzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene;2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen is sourced from PubChem (CID 158630517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).