5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene

C176H184F40O12 — CID 157138065

About 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene

5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene (PubChem CID 157138065) has the molecular formula C176H184F40O12 and a molecular weight of 3251.32 g/mol. Its IUPAC name is 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene.

Molecular Properties

• Compound Name: 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene
• PubChem CID: 157138065
• Molecular Formula: C176H184F40O12
• Molecular Weight: 3251.32 g/mol
• Exact Mass: 3249.31
• IUPAC Name: 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene
• SMILES: CCCCCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)CC2)c(F)c1.CCCCCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)OC2)c(F)c1.CCCCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)CC2)c(F)c1.CCCCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)OC2)c(F)c1.CCCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)CC2)c(F)c1.CCCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)OC2)c(F)c1.CCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)CC2)c(F)c1.CCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)OC2)c(F)c1
• InChI: InChI=1S/C24H27F5O.C23H25F5O2.C23H25F5O.C22H23F5O2.C22H23F5O.C21H21F5O2.C21H21F5O.C20H19F5O2/c1-2-3-4-5-16-10-21(27)24(22(28)11-16)30-14-15-6-8-17(9-7-15)18-12-19(25)23(29)20(26)13-18;1-2-3-4-5-14-8-19(26)23(20(27)9-14)30-13-15-6-7-21(29-12-15)16-10-17(24)22(28)18(25)11-16;1-2-3-4-15-9-20(26)23(21(27)10-15)29-13-14-5-7-16(8-6-14)17-11-18(24)22(28)19(25)12-17;1-2-3-4-13-7-18(25)22(19(26)8-13)29-12-14-5-6-20(28-11-14)15-9-16(23)21(27)17(24)10-15;1-2-3-14-8-19(25)22(20(26)9-14)28-12-13-4-6-15(7-5-13)16-10-17(23)21(27)18(24)11-16;1-2-3-12-6-17(24)21(18(25)7-12)28-11-13-4-5-19(27-10-13)14-8-15(22)20(26)16(23)9-14;1-2-12-7-18(24)21(19(25)8-12)27-11-13-3-5-14(6-4-13)15-9-16(22)20(26)17(23)10-15;1-2-11-5-16(23)20(17(24)6-11)27-10-12-3-4-18(26-9-12)13-7-14(21)19(25)15(22)8-13/h10-13,15,17H,2-9,14H2,1H3;8-11,15,21H,2-7,12-13H2,1H3;9-12,14,16H,2-8,13H2,1H3;7-10,14,20H,2-6,11-12H2,1H3;8-11,13,15H,2-7,12H2,1H3;6-9,13,19H,2-5,10-11H2,1H3;7-10,13-14H,2-6,11H2,1H3;5-8,12,18H,2-4,9-10H2,1H3
• InChIKey: AJVZRGXYFMFLAE-UHFFFAOYSA-N
• XLogP: 51.84
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 52
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3251.32
LogP ≤ 5	51.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene?

The IUPAC name of 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene (CID 157138065) is 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene.

What is the SMILES notation for 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene?

The canonical SMILES for 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene is CCCCCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)CC2)c(F)c1.CCCCCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)OC2)c(F)c1.CCCCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)CC2)c(F)c1.CCCCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)OC2)c(F)c1.CCCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)CC2)c(F)c1.CCCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)OC2)c(F)c1.CCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)CC2)c(F)c1.CCc1cc(F)c(OCC2CCC(c3cc(F)c(F)c(F)c3)OC2)c(F)c1.

What is the InChIKey of 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene?

The InChIKey is AJVZRGXYFMFLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F5O.C23H25F5O2.C23H25F5O.C22H23F5O2.C22H23F5O.C21H21F5O2.C21H21F5O.C20H19F5O2/c1-2-3-4-5-16-10-21(27)24(22(28)11-16)30-14-15-6-8-17(9-7-15)18-12-19(25)23(29)20(26)13-18;1-2-3-4-5-14-8-19(26)23(20(27)9-14)30-13-15-6-7-21(29-12-15)16-10-17(24)22(28)18(25)11-16;1-2-3-4-15-9-20(26)23(21(27)10-15)29-13-14-5-7-16(8-6-14)17-11-18(24)22(28)19(25)12-17;1-2-3-4-13-7-18(25)22(19(26)8-13)29-12-14-5-6-20(28-11-14)15-9-16(23)21(27)17(24)10-15;1-2-3-14-8-19(25)22(20(26)9-14)28-12-13-4-6-15(7-5-13)16-10-17(23)21(27)18(24)11-16;1-2-3-12-6-17(24)21(18(25)7-12)28-11-13-4-5-19(27-10-13)14-8-15(22)20(26)16(23)9-14;1-2-12-7-18(24)21(19(25)8-12)27-11-13-3-5-14(6-4-13)15-9-16(22)20(26)17(23)10-15;1-2-11-5-16(23)20(17(24)6-11)27-10-12-3-4-18(26-9-12)13-7-14(21)19(25)15(22)8-13/h10-13,15,17H,2-9,14H2,1H3;8-11,15,21H,2-7,12-13H2,1H3;9-12,14,16H,2-8,13H2,1H3;7-10,14,20H,2-6,11-12H2,1H3;8-11,13,15H,2-7,12H2,1H3;6-9,13,19H,2-5,10-11H2,1H3;7-10,13-14H,2-6,11H2,1H3;5-8,12,18H,2-4,9-10H2,1H3.

What are the key properties of 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene?

5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene has a molecular weight of 3251.32 g/mol, XLogP of 51.84, 52 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-butyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-pentyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;1,3-difluoro-5-propyl-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene;5-[(4-ethyl-2,6-difluorophenoxy)methyl]-2-(3,4,5-trifluorophenyl)oxane;5-ethyl-1,3-difluoro-2-[[4-(3,4,5-trifluorophenyl)cyclohexyl]methoxy]benzene is sourced from PubChem (CID 157138065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).