bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen

C163H204Cl4F12 — CID 167700283

About bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen

bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen (PubChem CID 167700283) has the molecular formula C163H204Cl4F12 and a molecular weight of 2533.21 g/mol. Its IUPAC name is bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen.

Molecular Properties

• Compound Name: bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen
• PubChem CID: 167700283
• Molecular Formula: C163H204Cl4F12
• Molecular Weight: 2533.21 g/mol
• Exact Mass: 2529.45
• IUPAC Name: bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen
• SMILES: Cc1cc(C)c(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(Cl)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(-c2ccc(C3CCC(C)CC3)cc2)c(F)c1F.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(F)c1F.Cc1ccc(-c2ccc(C=CC3CCC(C)CC3)cc2)c(F)c1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C22H24F2.C21H30F2.4C20H22ClF.2C20H22F2.9H2/c1-15-3-6-17(7-4-15)8-9-18-10-12-19(13-11-18)20-14-5-16(2)21(23)22(20)24;1-13-4-6-16(7-5-13)17-8-10-18(11-9-17)19-14(2)12-15(3)20(22)21(19)23;2*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;4*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;;;;;;;;;/h5,8-15,17H,3-4,6-7H2,1-2H3;12-13,16-18H,4-11H2,1-3H3;6*5,8-13,15H,3-4,6-7H2,1-2H3;9*1H
• InChIKey: YGURWFWTBILMBN-UHFFFAOYSA-N
• XLogP: 55.14
• TPSA: 0.00 Ų
• Rotatable Bonds: 17
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2533.21
LogP ≤ 5	55.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen?

The IUPAC name of bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen (CID 167700283) is bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen.

What is the SMILES notation for bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen?

The canonical SMILES for bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen is Cc1cc(C)c(C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(Cl)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(-c2ccc(C3CCC(C)CC3)cc2)c(F)c1F.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)c(F)c1F.Cc1ccc(-c2ccc(C=CC3CCC(C)CC3)cc2)c(F)c1F.[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)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen?

The InChIKey is YGURWFWTBILMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2.C21H30F2.4C20H22ClF.2C20H22F2.9H2/c1-15-3-6-17(7-4-15)8-9-18-10-12-19(13-11-18)20-14-5-16(2)21(23)22(20)24;1-13-4-6-16(7-5-13)17-8-10-18(11-9-17)19-14(2)12-15(3)20(22)21(19)23;2*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;4*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;;;;;;;;;/h5,8-15,17H,3-4,6-7H2,1-2H3;12-13,16-18H,4-11H2,1-3H3;6*5,8-13,15H,3-4,6-7H2,1-2H3;9*1H.

What are the key properties of bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen?

bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen has a molecular weight of 2533.21 g/mol, XLogP of 55.14, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-chloro-3-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2,3-difluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethenyl]phenyl]benzene;bis(2,3-difluoro-1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);molecular hydrogen is sourced from PubChem (CID 167700283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).