bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene)

C185H278Cl4F24O4 — CID 161207400

About bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene)

bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene) (PubChem CID 161207400) has the molecular formula C185H278Cl4F24O4 and a molecular weight of 3164.02 g/mol. Its IUPAC name is bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene).

Molecular Properties

• Compound Name: bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene)
• PubChem CID: 161207400
• Molecular Formula: C185H278Cl4F24O4
• Molecular Weight: 3164.02 g/mol
• Exact Mass: 3159.99
• IUPAC Name: bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene)
• SMILES: CC1CCC(C2CCC(OCF)CC2)CC1.CC1CCC(OCF)CC1.Cc1ccc(CC2CCC(C)CC2)c(F)c1F.Cc1ccc(CCC2CCC(C)CC2)c(Cl)c1F.Cc1ccc(CCC2CCC(C)CC2)c(Cl)c1F.Cc1ccc(CCC2CCC(C)CC2)c(F)c1Cl.Cc1ccc(CCC2CCC(C)CC2)c(F)c1Cl.Cc1ccc(CCC2CCC(C)CC2)c(F)c1F.Cc1ccc(CCC2CCC(C)CC2)c(F)c1F.Cc1ccc(F)c(F)c1F.Cc1ccc(F)c(F)c1F.Cc1ccc(OC(F)(F)C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.Cc1ccc(OCC=CC2CCC(C)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]
• InChI: InChI=1S/C21H28F4O.C17H22F2O.4C16H22ClF.2C16H22F2.C15H20F2.C14H25FO.C8H15FO.2C7H5F3.13H2/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(24,25)26-18-12-5-14(2)19(22)20(18)23;1-12-5-8-14(9-6-12)4-3-11-20-15-10-7-13(2)16(18)17(15)19;2*1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)16(18)15(14)17;4*1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(17)16(14)18;1-10-3-6-12(7-4-10)9-13-8-5-11(2)14(16)15(13)17;1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)16-10-15;1-7-2-4-8(5-3-7)10-6-9;2*1-4-2-3-5(8)7(10)6(4)9;;;;;;;;;;;;;/h5,12-13,15-17H,3-4,6-11H2,1-2H3;3-4,7,10,12,14H,5-6,8-9,11H2,1-2H3;6*5,9,11,13H,3-4,6-8,10H2,1-2H3;5,8,10,12H,3-4,6-7,9H2,1-2H3;11-14H,2-10H2,1H3;7-8H,2-6H2,1H3;2*2-3H,1H3;13*1H
• InChIKey: UVUDEELENRWAKY-UHFFFAOYSA-N
• XLogP: 63.65
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 33
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3164.02
LogP ≤ 5	63.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene)?

The IUPAC name of bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene) (CID 161207400) is bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene).

What is the SMILES notation for bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene)?

The canonical SMILES for bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene) is CC1CCC(C2CCC(OCF)CC2)CC1.CC1CCC(OCF)CC1.Cc1ccc(CC2CCC(C)CC2)c(F)c1F.Cc1ccc(CCC2CCC(C)CC2)c(Cl)c1F.Cc1ccc(CCC2CCC(C)CC2)c(Cl)c1F.Cc1ccc(CCC2CCC(C)CC2)c(F)c1Cl.Cc1ccc(CCC2CCC(C)CC2)c(F)c1Cl.Cc1ccc(CCC2CCC(C)CC2)c(F)c1F.Cc1ccc(CCC2CCC(C)CC2)c(F)c1F.Cc1ccc(F)c(F)c1F.Cc1ccc(F)c(F)c1F.Cc1ccc(OC(F)(F)C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.Cc1ccc(OCC=CC2CCC(C)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].

What is the InChIKey of bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene)?

The InChIKey is UVUDEELENRWAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F4O.C17H22F2O.4C16H22ClF.2C16H22F2.C15H20F2.C14H25FO.C8H15FO.2C7H5F3.13H2/c1-13-3-6-15(7-4-13)16-8-10-17(11-9-16)21(24,25)26-18-12-5-14(2)19(22)20(18)23;1-12-5-8-14(9-6-12)4-3-11-20-15-10-7-13(2)16(18)17(15)19;2*1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)16(18)15(14)17;4*1-11-3-6-13(7-4-11)8-10-14-9-5-12(2)15(17)16(14)18;1-10-3-6-12(7-4-10)9-13-8-5-11(2)14(16)15(13)17;1-11-2-4-12(5-3-11)13-6-8-14(9-7-13)16-10-15;1-7-2-4-8(5-3-7)10-6-9;2*1-4-2-3-5(8)7(10)6(4)9;;;;;;;;;;;;;/h5,12-13,15-17H,3-4,6-11H2,1-2H3;3-4,7,10,12,14H,5-6,8-9,11H2,1-2H3;6*5,9,11,13H,3-4,6-8,10H2,1-2H3;5,8,10,12H,3-4,6-7,9H2,1-2H3;11-14H,2-10H2,1H3;7-8H,2-6H2,1H3;2*2-3H,1H3;13*1H.

What are the key properties of bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene)?

bis(2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene) has a molecular weight of 3164.02 g/mol, XLogP of 63.65, 33 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-[2-(4-methylcyclohexyl)ethyl]benzene);bis(3-chloro-2-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;bis(2,3-difluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene);2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methyl]benzene;2,3-difluoro-1-methyl-4-[3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene) is sourced from PubChem (CID 161207400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).