1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate

C171H184F38O12 — CID 160936747

About 1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate

1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate (PubChem CID 160936747) has the molecular formula C171H184F38O12 and a molecular weight of 3153.26 g/mol. Its IUPAC name is 1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: 1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
• PubChem CID: 160936747
• Molecular Formula: C171H184F38O12
• Molecular Weight: 3153.26 g/mol
• Exact Mass: 3151.32
• IUPAC Name: 1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
• SMILES: CC1CCC(C2CCC(C(=O)Oc3cc(F)c(F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(C(F)(F)Oc3cc(F)c(F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(C(F)(F)Oc3ccc(F)c(F)c3)CC2)CC1.CC1CCC(C2COC(c3cc(F)c(CF)c(F)c3)OC2)CC1.CC1CCC(OCC2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(c2ccc(-c3cc(F)c(CF)c(F)c3)cc2)CC1.Cc1ccc(-c2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1.FOc1cc(F)c(F)c(F)c1.FOc1cc(F)c(F)c(F)c1
• InChI: InChI=1S/C21H38O.C20H11F7O.C20H11F5O2.C20H25F5O.C20H26F4O.C20H25F3O2.C20H21F3.C18H23F3O2.2C6H2F4O/c1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-21-13-5-17(2)6-14-21;1-10-2-4-11(5-3-10)12-6-14(21)18(15(22)7-12)20(26,27)28-13-8-16(23)19(25)17(24)9-13;1-10-2-4-11(5-3-10)12-6-14(21)18(15(22)7-12)20(26)27-13-8-16(23)19(25)17(24)9-13;1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)20(24,25)26-16-10-17(21)19(23)18(22)11-16;1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)20(23,24)25-17-10-11-18(21)19(22)12-17;1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)20(24)25-16-10-17(21)19(23)18(22)11-16;1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-19(22)18(12-21)20(23)11-17;1-11-2-4-12(5-3-11)14-9-22-18(23-10-14)13-6-16(20)15(8-19)17(21)7-13;2*7-4-1-3(11-10)2-5(8)6(4)9/h16-21H,3-15H2,1-2H3;2-9H,1H3;2-9H,1H3;10-15H,2-9H2,1H3;10-16H,2-9H2,1H3;10-15H,2-9H2,1H3;6-11,13-14H,2-5,12H2,1H3;6-7,11-12,14,18H,2-5,8-10H2,1H3;2*1-2H
• InChIKey: STYZUVGRRDSBPR-UHFFFAOYSA-N
• XLogP: 53.25
• TPSA: 126.44 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3153.26
LogP ≤ 5	53.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate?

The IUPAC name of 1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate (CID 160936747) is 1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate.

What is the SMILES notation for 1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate?

The canonical SMILES for 1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate is CC1CCC(C2CCC(C(=O)Oc3cc(F)c(F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(C(F)(F)Oc3cc(F)c(F)c(F)c3)CC2)CC1.CC1CCC(C2CCC(C(F)(F)Oc3ccc(F)c(F)c3)CC2)CC1.CC1CCC(C2COC(c3cc(F)c(CF)c(F)c3)OC2)CC1.CC1CCC(OCC2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(c2ccc(-c3cc(F)c(CF)c(F)c3)cc2)CC1.Cc1ccc(-c2cc(F)c(C(=O)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1.FOc1cc(F)c(F)c(F)c1.FOc1cc(F)c(F)c(F)c1.

What is the InChIKey of 1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate?

The InChIKey is STYZUVGRRDSBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38O.C20H11F7O.C20H11F5O2.C20H25F5O.C20H26F4O.C20H25F3O2.C20H21F3.C18H23F3O2.2C6H2F4O/c1-16-3-9-19(10-4-16)20-11-7-18(8-12-20)15-22-21-13-5-17(2)6-14-21;1-10-2-4-11(5-3-10)12-6-14(21)18(15(22)7-12)20(26,27)28-13-8-16(23)19(25)17(24)9-13;1-10-2-4-11(5-3-10)12-6-14(21)18(15(22)7-12)20(26)27-13-8-16(23)19(25)17(24)9-13;1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)20(24,25)26-16-10-17(21)19(23)18(22)11-16;1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)20(23,24)25-17-10-11-18(21)19(22)12-17;1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)20(24)25-16-10-17(21)19(23)18(22)11-16;1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-19(22)18(12-21)20(23)11-17;1-11-2-4-12(5-3-11)14-9-22-18(23-10-14)13-6-16(20)15(8-19)17(21)7-13;2*7-4-1-3(11-10)2-5(8)6(4)9/h16-21H,3-15H2,1-2H3;2-9H,1H3;2-9H,1H3;10-15H,2-9H2,1H3;10-16H,2-9H2,1H3;10-15H,2-9H2,1H3;6-11,13-14H,2-5,12H2,1H3;6-7,11-12,14,18H,2-5,8-10H2,1H3;2*1-2H.

What are the key properties of 1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate?

1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate has a molecular weight of 3153.26 g/mol, XLogP of 53.25, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-difluoro-2-(fluoromethyl)-5-[4-(4-methylcyclohexyl)phenyl]benzene;2-[3,5-difluoro-4-(fluoromethyl)phenyl]-5-(4-methylcyclohexyl)-1,3-dioxane;4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2-difluorobenzene;5-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-1,2,3-trifluorobenzene;2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-(4-methylphenyl)benzene;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane;(3,4,5-trifluorophenyl) 2,6-difluoro-4-(4-methylphenyl)benzoate;bis((3,4,5-trifluorophenyl) hypofluorite);(3,4,5-trifluorophenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 160936747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).