1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen

C79H122ClF3 — CID 160557859

About 1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen

1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen (PubChem CID 160557859) has the molecular formula C79H122ClF3 and a molecular weight of 1164.29 g/mol. Its IUPAC name is 1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen.

Molecular Properties

• Compound Name: 1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
• PubChem CID: 160557859
• Molecular Formula: C79H122ClF3
• Molecular Weight: 1164.29 g/mol
• Exact Mass: 1162.92
• IUPAC Name: 1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
• SMILES: CCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.CCCC1CCC(c2ccc(Cl)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H29F.C21H31F.C20H29F.C15H21Cl.6H2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20;1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14;;;;;;/h10-19H,2-9H2,1H3;12-19H,2-11H2,1H3;11-18H,2-10H2,1H3;8-13H,2-7H2,1H3;6*1H
• InChIKey: QYXQQGVBHLNMAN-UHFFFAOYSA-N
• XLogP: 27.26
• TPSA: 0.00 Ų
• Rotatable Bonds: 16
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1164.29
LogP ≤ 5	27.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen?

The IUPAC name of 1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen (CID 160557859) is 1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen.

What is the SMILES notation for 1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen?

The canonical SMILES for 1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen is CCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.CCCC1CCC(C2CCC(c3ccc(F)cc3)CC2)CC1.CCCC1CCC(c2ccc(Cl)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(F)cc3)cc2)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen?

The InChIKey is QYXQQGVBHLNMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F.C21H31F.C20H29F.C15H21Cl.6H2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-16-23(24)17-15-22;1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(22)15-13-20;1-2-15-3-5-16(6-4-15)17-7-9-18(10-8-17)19-11-13-20(21)14-12-19;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14;;;;;;/h10-19H,2-9H2,1H3;12-19H,2-11H2,1H3;11-18H,2-10H2,1H3;8-13H,2-7H2,1H3;6*1H.

What are the key properties of 1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen?

1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen has a molecular weight of 1164.29 g/mol, XLogP of 27.26, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-4-(4-propylcyclohexyl)benzene;1-[4-(4-ethylcyclohexyl)cyclohexyl]-4-fluorobenzene;1-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;1-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen is sourced from PubChem (CID 160557859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).