1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene

C258H358F20O10 — CID 161061616

About 1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene

1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene (PubChem CID 161061616) has the molecular formula C258H358F20O10 and a molecular weight of 3999.65 g/mol. Its IUPAC name is 1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene.

Molecular Properties

• Compound Name: 1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
• PubChem CID: 161061616
• Molecular Formula: C258H358F20O10
• Molecular Weight: 3999.65 g/mol
• Exact Mass: 3996.72
• IUPAC Name: 1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC(c2ccc(F)cc2)CC1.Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(-c2ccc(OC(F)(F)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(C#Cc2ccc(OCF)cc2)cc1.Cc1ccc(C(F)(F)Oc2ccc(C3CCC(C)CC3)cc2)cc1.Cc1ccc(CCc2ccc(F)cc2)cc1.Cc1ccc(CCc2ccc(OC(F)(F)c3ccc(C)cc3)cc2)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1.Cc1ccc(OC(F)(F)c2ccc(C)cc2)cc1.Cc1ccc(OCF)cc1.Cc1ccc(OCF)cc1.Cc1ccc(OCF)cc1.Cc1ccc(OCF)cc1
• InChI: InChI=1S/C23H18F2O.C23H22F2O.C21H24F2O.C21H18F2O.C16H13FO.C15H14F2O.C15H15F.C13H17F.C13H11F.4C8H9FO.2C7H7F.26C2H6/c1-17-3-7-19(8-4-17)9-10-20-11-13-21(14-12-20)23(24,25)26-22-15-5-18(2)6-16-22;1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)26-23(24,25)21-13-5-18(2)6-14-21;2*1-15-3-7-17(8-4-15)18-9-13-20(14-10-18)24-21(22,23)19-11-5-16(2)6-12-19;1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)18-12-17;1-11-3-7-13(8-4-11)15(16,17)18-14-9-5-12(2)6-10-14;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;2*1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;4*1-7-2-4-8(5-3-7)10-6-9;2*1-6-2-4-7(8)5-3-6;26*1-2/h3-8,11-16H,1-2H3;3-8,11-16H,9-10H2,1-2H3;5-6,9-15,17H,3-4,7-8H2,1-2H3;3-14H,1-2H3;2-5,8-11H,12H2,1H3;3-10H,1-2H3;2-5,8-11H,6-7H2,1H3;6-11H,2-5H2,1H3;2-9H,1H3;4*2-5H,6H2,1H3;2*2-5H,1H3;26*1-2H3
• InChIKey: UDLWNBVXJQOJLD-UHFFFAOYSA-N
• XLogP: 84.69
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 35
• Heavy Atoms: 288
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3999.65
LogP ≤ 5	84.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene?

The IUPAC name of 1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene (CID 161061616) is 1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene.

What is the SMILES notation for 1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene?

The canonical SMILES for 1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCC(c2ccc(F)cc2)CC1.Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(-c2ccc(OC(F)(F)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C#Cc2ccc(C(F)(F)Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(C#Cc2ccc(OCF)cc2)cc1.Cc1ccc(C(F)(F)Oc2ccc(C3CCC(C)CC3)cc2)cc1.Cc1ccc(CCc2ccc(F)cc2)cc1.Cc1ccc(CCc2ccc(OC(F)(F)c3ccc(C)cc3)cc2)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1.Cc1ccc(OC(F)(F)c2ccc(C)cc2)cc1.Cc1ccc(OCF)cc1.Cc1ccc(OCF)cc1.Cc1ccc(OCF)cc1.Cc1ccc(OCF)cc1.

What is the InChIKey of 1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene?

The InChIKey is UDLWNBVXJQOJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2O.C23H22F2O.C21H24F2O.C21H18F2O.C16H13FO.C15H14F2O.C15H15F.C13H17F.C13H11F.4C8H9FO.2C7H7F.26C2H6/c1-17-3-7-19(8-4-17)9-10-20-11-13-21(14-12-20)23(24,25)26-22-15-5-18(2)6-16-22;1-17-3-7-19(8-4-17)9-10-20-11-15-22(16-12-20)26-23(24,25)21-13-5-18(2)6-14-21;2*1-15-3-7-17(8-4-15)18-9-13-20(14-10-18)24-21(22,23)19-11-5-16(2)6-12-19;1-13-2-4-14(5-3-13)6-7-15-8-10-16(11-9-15)18-12-17;1-11-3-7-13(8-4-11)15(16,17)18-14-9-5-12(2)6-10-14;1-12-2-4-13(5-3-12)6-7-14-8-10-15(16)11-9-14;2*1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;4*1-7-2-4-8(5-3-7)10-6-9;2*1-6-2-4-7(8)5-3-6;26*1-2/h3-8,11-16H,1-2H3;3-8,11-16H,9-10H2,1-2H3;5-6,9-15,17H,3-4,7-8H2,1-2H3;3-14H,1-2H3;2-5,8-11H,12H2,1H3;3-10H,1-2H3;2-5,8-11H,6-7H2,1H3;6-11H,2-5H2,1H3;2-9H,1H3;4*2-5H,6H2,1H3;2*2-5H,1H3;26*1-2H3.

What are the key properties of 1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene?

1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene has a molecular weight of 3999.65 g/mol, XLogP of 84.69, 35 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[difluoro-[4-(4-methylcyclohexyl)phenoxy]methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenoxy)methyl]-4-[2-(4-methylphenyl)ethynyl]benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-(4-methylphenyl)benzene;1-[difluoro-(4-methylphenyl)methoxy]-4-[2-(4-methylphenyl)ethyl]benzene;ethane;tetrakis(1-(fluoromethoxy)-4-methylbenzene);1-(fluoromethoxy)-4-[2-(4-methylphenyl)ethynyl]benzene;bis(1-fluoro-4-methylbenzene);1-fluoro-4-(4-methylcyclohexyl)benzene;1-fluoro-4-(4-methylphenyl)benzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene is sourced from PubChem (CID 161061616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).