1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene

C198H242F22 — CID 159143291

About 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene

1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene (PubChem CID 159143291) has the molecular formula C198H242F22 and a molecular weight of 3040.07 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene.

Molecular Properties

• Compound Name: 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene
• PubChem CID: 159143291
• Molecular Formula: C198H242F22
• Molecular Weight: 3040.07 g/mol
• Exact Mass: 3037.86
• IUPAC Name: 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene
• SMILES: C/C=C/C1CCC(C2CCC(CCC)CC2)CC1.C=CC1CCC(C2CCC(CCC)CC2)CC1.CCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.CCC1CCC(CCC2CCC(C3CCC(c4ccc(F)c(F)c4)CC3)CC2)CC1.CCC1CCC(c2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)CC1.CCCC1CCC(c2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)CC1.CCCCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.CCCc1ccc(-c2ccc3c(F)c(F)c(F)cc3c2)c(F)c1.CCc1ccc(-c2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)cc1
• InChI: InChI=1S/C28H42F2.C25H24F4.C24H22F4.C24H16F4.C23H34F2.C20H28F2.C19H14F4.C18H32.C17H30/c1-2-20-3-5-21(6-4-20)7-8-22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-18-27(29)28(30)19-26;1-2-3-15-4-6-16(7-5-15)17-8-10-20(22(26)13-17)18-9-11-21-19(12-18)14-23(27)25(29)24(21)28;2*1-2-14-3-5-15(6-4-14)16-7-9-19(21(25)12-16)17-8-10-20-18(11-17)13-22(26)24(28)23(20)27;1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21;1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18;1-2-3-11-4-6-14(16(20)8-11)12-5-7-15-13(9-12)10-17(21)19(23)18(15)22;1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h17-25H,2-16H2,1H3;8-16H,2-7H2,1H3;7-15H,2-6H2,1H3;3-13H,2H2,1H3;14-20H,2-13H2,1H3;11-17H,2-10H2,1H3;4-10H,2-3H2,1H3;3,5,15-18H,4,6-14H2,1-2H3;4,14-17H,2-3,5-13H2,1H3/b;;;;;;;5-3+
• InChIKey: KIJAYVUXHJRWNF-HHPFHRCYSA-N
• XLogP: 63.88
• TPSA: 0.00 Ų
• Rotatable Bonds: 36
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3040.07
LogP ≤ 5	63.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene?

The IUPAC name of 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene (CID 159143291) is 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene.

What is the SMILES notation for 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene?

The canonical SMILES for 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene is C/C=C/C1CCC(C2CCC(CCC)CC2)CC1.C=CC1CCC(C2CCC(CCC)CC2)CC1.CCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.CCC1CCC(CCC2CCC(C3CCC(c4ccc(F)c(F)c4)CC3)CC2)CC1.CCC1CCC(c2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)CC1.CCCC1CCC(c2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)CC1.CCCCCC1CCC(C2CCC(c3ccc(F)c(F)c3)CC2)CC1.CCCc1ccc(-c2ccc3c(F)c(F)c(F)cc3c2)c(F)c1.CCc1ccc(-c2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)cc1.

What is the InChIKey of 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene?

The InChIKey is KIJAYVUXHJRWNF-HHPFHRCYSA-N. The full InChI is InChI=1S/C28H42F2.C25H24F4.C24H22F4.C24H16F4.C23H34F2.C20H28F2.C19H14F4.C18H32.C17H30/c1-2-20-3-5-21(6-4-20)7-8-22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-18-27(29)28(30)19-26;1-2-3-15-4-6-16(7-5-15)17-8-10-20(22(26)13-17)18-9-11-21-19(12-18)14-23(27)25(29)24(21)28;2*1-2-14-3-5-15(6-4-14)16-7-9-19(21(25)12-16)17-8-10-20-18(11-17)13-22(26)24(28)23(20)27;1-2-3-4-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-22(24)23(25)16-21;1-2-14-3-5-15(6-4-14)16-7-9-17(10-8-16)18-11-12-19(21)20(22)13-18;1-2-3-11-4-6-14(16(20)8-11)12-5-7-15-13(9-12)10-17(21)19(23)18(15)22;1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18;1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h17-25H,2-16H2,1H3;8-16H,2-7H2,1H3;7-15H,2-6H2,1H3;3-13H,2H2,1H3;14-20H,2-13H2,1H3;11-17H,2-10H2,1H3;4-10H,2-3H2,1H3;3,5,15-18H,4,6-14H2,1-2H3;4,14-17H,2-3,5-13H2,1H3/b;;;;;;;5-3+;.

What are the key properties of 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene?

1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene has a molecular weight of 3040.07 g/mol, XLogP of 63.88, 36 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;4-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2-difluorobenzene;4-[4-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]-1,2-difluorobenzene;6-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-(4-ethylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1,2,3-trifluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]naphthalene;1,2,3-trifluoro-6-(2-fluoro-4-propylphenyl)naphthalene is sourced from PubChem (CID 159143291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).