2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane

C135H192F20O10 — CID 162022407

IUPAC2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane
SMILESC.CCC1CCC(C2CCC(C3CCC(C(F)(F)Oc4cc(F)c(C)c(F)c4)CC3)CC2)O1.CCCC1CCC(C2CCC(C3CCC(C(F)(F)Oc4cc(F)c(C)c(F)c4)CC3)CC2)O1.CCCCC1CCC(C2CCC(C3CCC(C(F)(F)Oc4cc(F)c(C)c(F)c4)CC3)CC2)O1.CCCCCC1CCC(C2CCC(C3CCC(C(F)(F)Oc4cc(F)c(C)c(F)c4)CC3)CC2)O1.Cc1c(F)cc(OC(F)(F)C2CCC(C3CCC(C4CCCO4)CC3)CC2)cc1F
InChIInChI=1S/C29H42F4O2.C28H40F4O2.C27H38F4O2.C26H36F4O2.C24H32F4O2.CH4/c1-3-4-5-6-24-15-16-28(34-24)22-9-7-20(8-10-22)21-11-13-23(14-12-21)29(32,33)35-25-17-26(30)19(2)27(31)18-25;1-3-4-5-23-14-15-27(33-23)21-8-6-19(7-9-21)20-10-12-22(13-11-20)28(31,32)34-24-16-25(29)18(2)26(30)17-24;1-3-4-22-13-14-26(32-22)20-7-5-18(6-8-20)19-9-11-21(12-10-19)27(30,31)33-23-15-24(28)17(2)25(29)16-23;1-3-21-12-13-25(31-21)19-6-4-17(5-7-19)18-8-10-20(11-9-18)26(29,30)32-22-14-23(27)16(2)24(28)15-22;1-15-21(25)13-20(14-22(15)26)30-24(27,28)19-10-8-17(9-11-19)16-4-6-18(7-5-16)23-3-2-12-29-23;/h17-18,20-24,28H,3-16H2,1-2H3;16-17,19-23,27H,3-15H2,1-2H3;15-16,18-22,26H,3-14H2,1-2H3;14-15,17-21,25H,3-13H2,1-2H3;13-14,16-19,23H,2-12H2,1H3;1H4
InChIKeyYUXLXKZTVLWLDD-UHFFFAOYSA-N
MW2354.97 g/mol
LogP41.27
Rot. Bonds35

About 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane

2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane (PubChem CID 162022407) has the molecular formula C135H192F20O10 and a molecular weight of 2354.97 g/mol. Its IUPAC name is 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane.

Molecular Properties

Compound Name2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane
PubChem CID162022407
Molecular FormulaC135H192F20O10
Molecular Weight2354.97 g/mol
Exact Mass2353.42
IUPAC Name2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane
SMILESC.CCC1CCC(C2CCC(C3CCC(C(F)(F)Oc4cc(F)c(C)c(F)c4)CC3)CC2)O1.CCCC1CCC(C2CCC(C3CCC(C(F)(F)Oc4cc(F)c(C)c(F)c4)CC3)CC2)O1.CCCCC1CCC(C2CCC(C3CCC(C(F)(F)Oc4cc(F)c(C)c(F)c4)CC3)CC2)O1.CCCCCC1CCC(C2CCC(C3CCC(C(F)(F)Oc4cc(F)c(C)c(F)c4)CC3)CC2)O1.Cc1c(F)cc(OC(F)(F)C2CCC(C3CCC(C4CCCO4)CC3)CC2)cc1F
InChIInChI=1S/C29H42F4O2.C28H40F4O2.C27H38F4O2.C26H36F4O2.C24H32F4O2.CH4/c1-3-4-5-6-24-15-16-28(34-24)22-9-7-20(8-10-22)21-11-13-23(14-12-21)29(32,33)35-25-17-26(30)19(2)27(31)18-25;1-3-4-5-23-14-15-27(33-23)21-8-6-19(7-9-21)20-10-12-22(13-11-20)28(31,32)34-24-16-25(29)18(2)26(30)17-24;1-3-4-22-13-14-26(32-22)20-7-5-18(6-8-20)19-9-11-21(12-10-19)27(30,31)33-23-15-24(28)17(2)25(29)16-23;1-3-21-12-13-25(31-21)19-6-4-17(5-7-19)18-8-10-20(11-9-18)26(29,30)32-22-14-23(27)16(2)24(28)15-22;1-15-21(25)13-20(14-22(15)26)30-24(27,28)19-10-8-17(9-11-19)16-4-6-18(7-5-16)23-3-2-12-29-23;/h17-18,20-24,28H,3-16H2,1-2H3;16-17,19-23,27H,3-15H2,1-2H3;15-16,18-22,26H,3-14H2,1-2H3;14-15,17-21,25H,3-13H2,1-2H3;13-14,16-19,23H,2-12H2,1H3;1H4
InChIKeyYUXLXKZTVLWLDD-UHFFFAOYSA-N
XLogP41.27
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds35
Heavy Atoms165
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002354.97
LogP ≤ 541.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane?
The IUPAC name of 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane (CID 162022407) is 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane.
What is the SMILES notation for 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane?
The canonical SMILES for 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane is C.CCC1CCC(C2CCC(C3CCC(C(F)(F)Oc4cc(F)c(C)c(F)c4)CC3)CC2)O1.CCCC1CCC(C2CCC(C3CCC(C(F)(F)Oc4cc(F)c(C)c(F)c4)CC3)CC2)O1.CCCCC1CCC(C2CCC(C3CCC(C(F)(F)Oc4cc(F)c(C)c(F)c4)CC3)CC2)O1.CCCCCC1CCC(C2CCC(C3CCC(C(F)(F)Oc4cc(F)c(C)c(F)c4)CC3)CC2)O1.Cc1c(F)cc(OC(F)(F)C2CCC(C3CCC(C4CCCO4)CC3)CC2)cc1F.
What is the InChIKey of 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane?
The InChIKey is YUXLXKZTVLWLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42F4O2.C28H40F4O2.C27H38F4O2.C26H36F4O2.C24H32F4O2.CH4/c1-3-4-5-6-24-15-16-28(34-24)22-9-7-20(8-10-22)21-11-13-23(14-12-21)29(32,33)35-25-17-26(30)19(2)27(31)18-25;1-3-4-5-23-14-15-27(33-23)21-8-6-19(7-9-21)20-10-12-22(13-11-20)28(31,32)34-24-16-25(29)18(2)26(30)17-24;1-3-4-22-13-14-26(32-22)20-7-5-18(6-8-20)19-9-11-21(12-10-19)27(30,31)33-23-15-24(28)17(2)25(29)16-23;1-3-21-12-13-25(31-21)19-6-4-17(5-7-19)18-8-10-20(11-9-18)26(29,30)32-22-14-23(27)16(2)24(28)15-22;1-15-21(25)13-20(14-22(15)26)30-24(27,28)19-10-8-17(9-11-19)16-4-6-18(7-5-16)23-3-2-12-29-23;/h17-18,20-24,28H,3-16H2,1-2H3;16-17,19-23,27H,3-15H2,1-2H3;15-16,18-22,26H,3-14H2,1-2H3;14-15,17-21,25H,3-13H2,1-2H3;13-14,16-19,23H,2-12H2,1H3;1H4.
What are the key properties of 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane?
2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane has a molecular weight of 2354.97 g/mol, XLogP of 41.27, 35 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-ethyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]oxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-pentyloxolane;2-[4-[4-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]cyclohexyl]cyclohexyl]-5-propyloxolane;methane is sourced from PubChem (CID 162022407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).