1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate

C189H196F26O15 — CID 157360106

About 1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate

1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate (PubChem CID 157360106) has the molecular formula C189H196F26O15 and a molecular weight of 3201.58 g/mol. Its IUPAC name is 1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate.

Molecular Properties

• Compound Name: 1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate
• PubChem CID: 157360106
• Molecular Formula: C189H196F26O15
• Molecular Weight: 3201.58 g/mol
• Exact Mass: 3199.42
• IUPAC Name: 1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate
• SMILES: Cc1c(F)cc(OC(=O)c2c(F)cc(C3CCC(C)CC3)cc2F)cc1F.Cc1c(F)cc(OC(=O)c2ccc(C3CCC(C)CC3)cc2F)cc1F.Cc1ccc(OC(=O)c2c(F)cc(C3CCC(C)CC3)cc2F)cc1.Cc1ccc(OC(=O)c2c(F)cc(C3CCC(C)CC3)cc2F)cc1F.Cc1ccc(OC(=O)c2ccc(C3CCC(C)CC3)cc2F)cc1.Cc1ccc(OC(=O)c2ccc(C3CCC(C)CC3)cc2F)cc1F.Cc1ccc(OC(F)(F)c2c(F)cc(C3CCC(C)CC3)cc2F)cc1.Cc1ccc(OC(F)(F)c2ccc(C3CCC(C)CC3)cc2F)cc1.Cc1ccc(OC(F)(F)c2ccc(C3CCC(C)CC3)cc2F)cc1F
• InChI: InChI=1S/C21H20F4O2.2C21H22F4O.2C21H21F3O2.C21H23F3O.2C21H22F2O2.C21H23FO2/c1-11-3-5-13(6-4-11)14-7-18(24)20(19(25)8-14)21(26)27-15-9-16(22)12(2)17(23)10-15;1-13-3-7-15(8-4-13)16-11-18(22)20(19(23)12-16)21(24,25)26-17-9-5-14(2)6-10-17;1-13-3-6-15(7-4-13)16-8-10-18(20(23)11-16)21(24,25)26-17-9-5-14(2)19(22)12-17;1-12-3-6-14(7-4-12)15-9-18(23)20(19(24)10-15)21(25)26-16-8-5-13(2)17(22)11-16;1-12-3-5-14(6-4-12)15-7-8-17(20(24)9-15)21(25)26-16-10-18(22)13(2)19(23)11-16;1-14-3-7-16(8-4-14)17-9-12-19(20(22)13-17)21(23,24)25-18-10-5-15(2)6-11-18;1-13-3-7-15(8-4-13)16-11-18(22)20(19(23)12-16)21(24)25-17-9-5-14(2)6-10-17;1-13-3-6-15(7-4-13)16-8-10-18(20(23)11-16)21(24)25-17-9-5-14(2)19(22)12-17;1-14-3-7-16(8-4-14)17-9-12-19(20(22)13-17)21(23)24-18-10-5-15(2)6-11-18/h7-11,13H,3-6H2,1-2H3;5-6,9-13,15H,3-4,7-8H2,1-2H3;5,8-13,15H,3-4,6-7H2,1-2H3;5,8-12,14H,3-4,6-7H2,1-2H3;7-12,14H,3-6H2,1-2H3;5-6,9-14,16H,3-4,7-8H2,1-2H3;5-6,9-13,15H,3-4,7-8H2,1-2H3;5,8-13,15H,3-4,6-7H2,1-2H3;5-6,9-14,16H,3-4,7-8H2,1-2H3
• InChIKey: BINQBHFNVYDHKH-UHFFFAOYSA-N
• XLogP: 55.08
• TPSA: 185.49 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 30
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3201.58
LogP ≤ 5	55.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate?

The IUPAC name of 1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate (CID 157360106) is 1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate.

What is the SMILES notation for 1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate?

The canonical SMILES for 1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate is Cc1c(F)cc(OC(=O)c2c(F)cc(C3CCC(C)CC3)cc2F)cc1F.Cc1c(F)cc(OC(=O)c2ccc(C3CCC(C)CC3)cc2F)cc1F.Cc1ccc(OC(=O)c2c(F)cc(C3CCC(C)CC3)cc2F)cc1.Cc1ccc(OC(=O)c2c(F)cc(C3CCC(C)CC3)cc2F)cc1F.Cc1ccc(OC(=O)c2ccc(C3CCC(C)CC3)cc2F)cc1.Cc1ccc(OC(=O)c2ccc(C3CCC(C)CC3)cc2F)cc1F.Cc1ccc(OC(F)(F)c2c(F)cc(C3CCC(C)CC3)cc2F)cc1.Cc1ccc(OC(F)(F)c2ccc(C3CCC(C)CC3)cc2F)cc1.Cc1ccc(OC(F)(F)c2ccc(C3CCC(C)CC3)cc2F)cc1F.

What is the InChIKey of 1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate?

The InChIKey is BINQBHFNVYDHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4O2.2C21H22F4O.2C21H21F3O2.C21H23F3O.2C21H22F2O2.C21H23FO2/c1-11-3-5-13(6-4-11)14-7-18(24)20(19(25)8-14)21(26)27-15-9-16(22)12(2)17(23)10-15;1-13-3-7-15(8-4-13)16-11-18(22)20(19(23)12-16)21(24,25)26-17-9-5-14(2)6-10-17;1-13-3-6-15(7-4-13)16-8-10-18(20(23)11-16)21(24,25)26-17-9-5-14(2)19(22)12-17;1-12-3-6-14(7-4-12)15-9-18(23)20(19(24)10-15)21(25)26-16-8-5-13(2)17(22)11-16;1-12-3-5-14(6-4-12)15-7-8-17(20(24)9-15)21(25)26-16-10-18(22)13(2)19(23)11-16;1-14-3-7-16(8-4-14)17-9-12-19(20(22)13-17)21(23,24)25-18-10-5-15(2)6-11-18;1-13-3-7-15(8-4-13)16-11-18(22)20(19(23)12-16)21(24)25-17-9-5-14(2)6-10-17;1-13-3-6-15(7-4-13)16-8-10-18(20(23)11-16)21(24)25-17-9-5-14(2)19(22)12-17;1-14-3-7-16(8-4-14)17-9-12-19(20(22)13-17)21(23)24-18-10-5-15(2)6-11-18/h7-11,13H,3-6H2,1-2H3;5-6,9-13,15H,3-4,7-8H2,1-2H3;5,8-13,15H,3-4,6-7H2,1-2H3;5,8-12,14H,3-4,6-7H2,1-2H3;7-12,14H,3-6H2,1-2H3;5-6,9-14,16H,3-4,7-8H2,1-2H3;5-6,9-13,15H,3-4,7-8H2,1-2H3;5,8-13,15H,3-4,6-7H2,1-2H3;5-6,9-14,16H,3-4,7-8H2,1-2H3.

What are the key properties of 1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate?

1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate has a molecular weight of 3201.58 g/mol, XLogP of 55.08, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[difluoro-(3-fluoro-4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;2-[difluoro-(4-methylphenoxy)methyl]-1,3-difluoro-5-(4-methylcyclohexyl)benzene;1-[difluoro-(4-methylphenoxy)methyl]-2-fluoro-4-(4-methylcyclohexyl)benzene;(3,5-difluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3,5-difluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2,6-difluoro-4-(4-methylcyclohexyl)benzoate;(4-methylphenyl) 2-fluoro-4-(4-methylcyclohexyl)benzoate is sourced from PubChem (CID 157360106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).