1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene)

C157H214F28O13 — CID 158059371

About 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene)

1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene) (PubChem CID 158059371) has the molecular formula C157H214F28O13 and a molecular weight of 2841.37 g/mol. Its IUPAC name is 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene).

Molecular Properties

• Compound Name: 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene)
• PubChem CID: 158059371
• Molecular Formula: C157H214F28O13
• Molecular Weight: 2841.37 g/mol
• Exact Mass: 2839.56
• IUPAC Name: 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene)
• SMILES: C=CC1CCC(C2CCC(c3ccc(OC)c(F)c3F)CC2)CC1.CC1CCC(C2CCC(OCF)CC2)CC1.CC1CCC(OCF)CC1.CC1CCC(c2ccc(OCF)cc2)CC1.COc1ccc(F)c(F)c1F.COc1ccc(F)c(F)c1F.COc1ccc(F)c(F)c1F.COc1ccc(OC(F)(F)C2CCC(C)CC2)c(F)c1F.COc1ccc(OC(F)(F)C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.COc1ccc(OC(F)(F)c2ccc(C3CCC(C)CC3)cc2)c(F)c1F.Cc1ccc(C#Cc2ccc(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]
• InChI: InChI=1S/C22H22F2.C21H28F4O2.C21H22F4O2.C21H28F2O.C15H18F4O2.C14H25FO.C14H19FO.C8H15FO.3C7H5F3O.11H2/c1-15-3-9-18(10-4-15)19-12-6-17(7-13-19)8-14-20-11-5-16(2)21(23)22(20)24;2*1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)21(24,25)27-18-12-11-17(26-2)19(22)20(18)23;1-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19(24-2)21(23)20(18)22;1-9-3-5-10(6-4-9)15(18,19)21-12-8-7-11(20-2)13(16)14(12)17;2*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;3*1-11-5-3-2-4(8)6(9)7(5)10;;;;;;;;;;;/h5-7,11-13,15,18H,3-4,9-10H2,1-2H3;11-16H,3-10H2,1-2H3;7-14H,3-6H2,1-2H3;3,12-17H,1,4-11H2,2H3;7-10H,3-6H2,1-2H3;11-14H,2-10H2,1H3;6-9,11-12H,2-5,10H2,1H3;7-8H,2-6H2,1H3;3*2-3H,1H3;11*1H
• InChIKey: FKLRJFVYVVYYBS-UHFFFAOYSA-N
• XLogP: 50.10
• TPSA: 119.99 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 30
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2841.37
LogP ≤ 5	50.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene)?

The IUPAC name of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene) (CID 158059371) is 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene).

What is the SMILES notation for 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene)?

The canonical SMILES for 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene) is C=CC1CCC(C2CCC(c3ccc(OC)c(F)c3F)CC2)CC1.CC1CCC(C2CCC(OCF)CC2)CC1.CC1CCC(OCF)CC1.CC1CCC(c2ccc(OCF)cc2)CC1.COc1ccc(F)c(F)c1F.COc1ccc(F)c(F)c1F.COc1ccc(F)c(F)c1F.COc1ccc(OC(F)(F)C2CCC(C)CC2)c(F)c1F.COc1ccc(OC(F)(F)C2CCC(C3CCC(C)CC3)CC2)c(F)c1F.COc1ccc(OC(F)(F)c2ccc(C3CCC(C)CC3)cc2)c(F)c1F.Cc1ccc(C#Cc2ccc(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].

What is the InChIKey of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene)?

The InChIKey is FKLRJFVYVVYYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2.C21H28F4O2.C21H22F4O2.C21H28F2O.C15H18F4O2.C14H25FO.C14H19FO.C8H15FO.3C7H5F3O.11H2/c1-15-3-9-18(10-4-15)19-12-6-17(7-13-19)8-14-20-11-5-16(2)21(23)22(20)24;2*1-13-3-5-14(6-4-13)15-7-9-16(10-8-15)21(24,25)27-18-12-11-17(26-2)19(22)20(18)23;1-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18-12-13-19(24-2)21(23)20(18)22;1-9-3-5-10(6-4-9)15(18,19)21-12-8-7-11(20-2)13(16)14(12)17;2*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;3*1-11-5-3-2-4(8)6(9)7(5)10;;;;;;;;;;;/h5-7,11-13,15,18H,3-4,9-10H2,1-2H3;11-16H,3-10H2,1-2H3;7-14H,3-6H2,1-2H3;3,12-17H,1,4-11H2,2H3;7-10H,3-6H2,1-2H3;11-14H,2-10H2,1H3;6-9,11-12H,2-5,10H2,1H3;7-8H,2-6H2,1H3;3*2-3H,1H3;11*1H.

What are the key properties of 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene)?

1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene) has a molecular weight of 2841.37 g/mol, XLogP of 50.10, 30 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methoxybenzene;1-[difluoro-[4-(4-methylcyclohexyl)phenyl]methoxy]-2,3-difluoro-4-methoxybenzene;2,3-difluoro-1-methyl-4-[2-[4-(4-methylcyclohexyl)phenyl]ethynyl]benzene;1-[4-(4-ethenylcyclohexyl)cyclohexyl]-2,3-difluoro-4-methoxybenzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)benzene;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;molecular hydrogen;tris(1,2,3-trifluoro-4-methoxybenzene) is sourced from PubChem (CID 158059371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).