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

C149H226Cl2F16O5 — CID 161007431

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

bis(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]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 161007431) has the molecular formula C149H226Cl2F16O5 and a molecular weight of 2472.32 g/mol. Its IUPAC name is bis(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]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(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]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: 161007431
• Molecular Formula: C149H226Cl2F16O5
• Molecular Weight: 2472.32 g/mol
• Exact Mass: 2469.66
• IUPAC Name: bis(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]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(C2CCC(C)CC2)c(Cl)c1F.Cc1ccc(C2CCC(C)CC2)c(Cl)c1F.Cc1ccc(C2CCC(C)CC2)c(F)c1F.Cc1ccc(C2CCC(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.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]
• InChI: InChI=1S/3C21H30F2O.2C15H20F2O.2C14H18ClF.2C14H18F2.12H2/c2*1-14-3-8-17(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;1-10-3-7-13(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*1-9-3-6-11(7-4-9)12-8-5-10(2)14(16)13(12)15;2*1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16;;;;;;;;;;;;/h2*5,12,14,16-18H,3-4,6-11,13H2,1-2H3;5,8,14,16-17,19H,3-4,6-7,9-13H2,1-2H3;5-6,10,13H,3-4,7-9H2,1-2H3;5,8,10,12H,3-4,6-7,9H2,1-2H3;4*5,8-9,11H,3-4,6-7H2,1-2H3;12*1H
• InChIKey: TWRNMSUOLTZPLZ-UHFFFAOYSA-N
• XLogP: 49.84
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 22
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2472.32
LogP ≤ 5	49.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of bis(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]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(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]benzene;molecular hydrogen (CID 161007431) is bis(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]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(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]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(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]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(C2CCC(C)CC2)c(Cl)c1F.Cc1ccc(C2CCC(C)CC2)c(Cl)c1F.Cc1ccc(C2CCC(C)CC2)c(F)c1F.Cc1ccc(C2CCC(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.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].

What is the InChIKey of bis(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]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 TWRNMSUOLTZPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H30F2O.2C15H20F2O.2C14H18ClF.2C14H18F2.12H2/c2*1-14-3-8-17(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;1-10-3-7-13(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*1-9-3-6-11(7-4-9)12-8-5-10(2)14(16)13(12)15;2*1-9-3-6-11(7-4-9)12-8-5-10(2)13(15)14(12)16;;;;;;;;;;;;/h2*5,12,14,16-18H,3-4,6-11,13H2,1-2H3;5,8,14,16-17,19H,3-4,6-7,9-13H2,1-2H3;5-6,10,13H,3-4,7-9H2,1-2H3;5,8,10,12H,3-4,6-7,9H2,1-2H3;4*5,8-9,11H,3-4,6-7H2,1-2H3;12*1H.

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

bis(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]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 2472.32 g/mol, XLogP of 49.84, 22 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-chloro-2-fluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-(4-methylcyclohexyl)benzene);bis(2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene);2,3-difluoro-1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]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 161007431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).