5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane

C90H92F24O8 — CID 159304578

About 5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane

5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane (PubChem CID 159304578) has the molecular formula C90H92F24O8 and a molecular weight of 1757.67 g/mol. Its IUPAC name is 5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane.

Molecular Properties

• Compound Name: 5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane
• PubChem CID: 159304578
• Molecular Formula: C90H92F24O8
• Molecular Weight: 1757.67 g/mol
• Exact Mass: 1756.64
• IUPAC Name: 5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane
• SMILES: CCC1CCC(c2cc(F)c(C(F)(F)Oc3cc(F)c(C)c(F)c3)c(F)c2)OC1.CCCC1CCC(c2cc(F)c(C(F)(F)Oc3cc(F)c(C)c(F)c3)c(F)c2)OC1.CCCCC1CCC(c2cc(F)c(C(F)(F)Oc3cc(F)c(C)c(F)c3)c(F)c2)OC1.CCCCCC1CCC(c2cc(F)c(C(F)(F)Oc3cc(F)c(C)c(F)c3)c(F)c2)OC1
• InChI: InChI=1S/C24H26F6O2.C23H24F6O2.C22H22F6O2.C21H20F6O2/c1-3-4-5-6-15-7-8-22(31-13-15)16-9-20(27)23(21(28)10-16)24(29,30)32-17-11-18(25)14(2)19(26)12-17;1-3-4-5-14-6-7-21(30-12-14)15-8-19(26)22(20(27)9-15)23(28,29)31-16-10-17(24)13(2)18(25)11-16;1-3-4-13-5-6-20(29-11-13)14-7-18(25)21(19(26)8-14)22(27,28)30-15-9-16(23)12(2)17(24)10-15;1-3-12-4-5-19(28-10-12)13-6-17(24)20(18(25)7-13)21(26,27)29-14-8-15(22)11(2)16(23)9-14/h9-12,15,22H,3-8,13H2,1-2H3;8-11,14,21H,3-7,12H2,1-2H3;7-10,13,20H,3-6,11H2,1-2H3;6-9,12,19H,3-5,10H2,1-2H3
• InChIKey: LBTJCTPORSXICO-UHFFFAOYSA-N
• XLogP: 28.57
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 26
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1757.67
LogP ≤ 5	28.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane?

The IUPAC name of 5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane (CID 159304578) is 5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane.

What is the SMILES notation for 5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane?

The canonical SMILES for 5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane is CCC1CCC(c2cc(F)c(C(F)(F)Oc3cc(F)c(C)c(F)c3)c(F)c2)OC1.CCCC1CCC(c2cc(F)c(C(F)(F)Oc3cc(F)c(C)c(F)c3)c(F)c2)OC1.CCCCC1CCC(c2cc(F)c(C(F)(F)Oc3cc(F)c(C)c(F)c3)c(F)c2)OC1.CCCCCC1CCC(c2cc(F)c(C(F)(F)Oc3cc(F)c(C)c(F)c3)c(F)c2)OC1.

What is the InChIKey of 5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane?

The InChIKey is LBTJCTPORSXICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6O2.C23H24F6O2.C22H22F6O2.C21H20F6O2/c1-3-4-5-6-15-7-8-22(31-13-15)16-9-20(27)23(21(28)10-16)24(29,30)32-17-11-18(25)14(2)19(26)12-17;1-3-4-5-14-6-7-21(30-12-14)15-8-19(26)22(20(27)9-15)23(28,29)31-16-10-17(24)13(2)18(25)11-16;1-3-4-13-5-6-20(29-11-13)14-7-18(25)21(19(26)8-14)22(27,28)30-15-9-16(23)12(2)17(24)10-15;1-3-12-4-5-19(28-10-12)13-6-17(24)20(18(25)7-13)21(26,27)29-14-8-15(22)11(2)16(23)9-14/h9-12,15,22H,3-8,13H2,1-2H3;8-11,14,21H,3-7,12H2,1-2H3;7-10,13,20H,3-6,11H2,1-2H3;6-9,12,19H,3-5,10H2,1-2H3.

What are the key properties of 5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane?

5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane has a molecular weight of 1757.67 g/mol, XLogP of 28.57, 26 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-butyl-2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]oxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-ethyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-pentyloxane;2-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane is sourced from PubChem (CID 159304578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).