5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene

C34H35F7O — CID 139852423

About 5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene

5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852423) has the molecular formula C34H35F7O and a molecular weight of 592.64 g/mol. Its IUPAC name is 5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

• Compound Name: 5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
• PubChem CID: 139852423
• Molecular Formula: C34H35F7O
• Molecular Weight: 592.64 g/mol
• Exact Mass: 592.26
• IUPAC Name: 5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
• SMILES: CCCc1ccc(CCC2CCc3c(F)c(C4CCC(c5ccc(OC(F)(F)F)c(F)c5)CC4)c(F)c(F)c3C2)cc1
• InChI: InChI=1S/C34H35F7O/c1-2-3-20-4-6-21(7-5-20)8-9-22-10-16-26-27(18-22)32(37)33(38)30(31(26)36)24-13-11-23(12-14-24)25-15-17-29(28(35)19-25)42-34(39,40)41/h4-7,15,17,19,22-24H,2-3,8-14,16,18H2,1H3
• InChIKey: QUQJEFPWRVFYEL-UHFFFAOYSA-N
• XLogP: 10.27
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	592.64
LogP ≤ 5	10.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?

The IUPAC name of 5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene (CID 139852423) is 5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene.

What is the SMILES notation for 5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?

The canonical SMILES for 5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene is CCCc1ccc(CCC2CCc3c(F)c(C4CCC(c5ccc(OC(F)(F)F)c(F)c5)CC4)c(F)c(F)c3C2)cc1.

What is the InChIKey of 5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?

The InChIKey is QUQJEFPWRVFYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35F7O/c1-2-3-20-4-6-21(7-5-20)8-9-22-10-16-26-27(18-22)32(37)33(38)30(31(26)36)24-13-11-23(12-14-24)25-15-17-29(28(35)19-25)42-34(39,40)41/h4-7,15,17,19,22-24H,2-3,8-14,16,18H2,1H3.

What are the key properties of 5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?

5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 592.64 g/mol, XLogP of 10.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7,8-trifluoro-6-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-2-[2-(4-propylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).