1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene

C32H37F3 — CID 139863615

About 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene

1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene (PubChem CID 139863615) has the molecular formula C32H37F3 and a molecular weight of 478.64 g/mol. Its IUPAC name is 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene.

Molecular Properties

• Compound Name: 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene
• PubChem CID: 139863615
• Molecular Formula: C32H37F3
• Molecular Weight: 478.64 g/mol
• Exact Mass: 478.28
• IUPAC Name: 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene
• SMILES: C/C=C/CCC1CCC(CCc2ccc(-c3cc4ccc(CCC)c(F)c4c(F)c3F)cc2)CC1
• InChI: InChI=1S/C32H37F3/c1-3-5-6-8-22-9-11-23(12-10-22)13-14-24-15-17-25(18-16-24)28-21-27-20-19-26(7-4-2)30(33)29(27)32(35)31(28)34/h3,5,15-23H,4,6-14H2,1-2H3/b5-3+
• InChIKey: HXWFYQAFJVHVRX-HWKANZROSA-N
• XLogP: 9.97
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.64
LogP ≤ 5	9.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene?

The IUPAC name of 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene (CID 139863615) is 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene.

What is the SMILES notation for 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene?

The canonical SMILES for 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene is C/C=C/CCC1CCC(CCc2ccc(-c3cc4ccc(CCC)c(F)c4c(F)c3F)cc2)CC1.

What is the InChIKey of 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene?

The InChIKey is HXWFYQAFJVHVRX-HWKANZROSA-N. The full InChI is InChI=1S/C32H37F3/c1-3-5-6-8-22-9-11-23(12-10-22)13-14-24-15-17-25(18-16-24)28-21-27-20-19-26(7-4-2)30(33)29(27)32(35)31(28)34/h3,5,15-23H,4,6-14H2,1-2H3/b5-3+.

What are the key properties of 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene?

1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene has a molecular weight of 478.64 g/mol, XLogP of 9.97, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene is sourced from PubChem (CID 139863615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).