2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane

C23H32F2O — CID 89069162

About 2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane

2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane (PubChem CID 89069162) has the molecular formula C23H32F2O and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane.

Molecular Properties

• Compound Name: 2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane
• PubChem CID: 89069162
• Molecular Formula: C23H32F2O
• Molecular Weight: 362.50 g/mol
• Exact Mass: 362.24
• IUPAC Name: 2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane
• SMILES: CCCC1CCC(CCC2CCc3cc(C4CO4)c(F)c(F)c3C2)CC1
• InChI: InChI=1S/C23H32F2O/c1-2-3-15-4-6-16(7-5-15)8-9-17-10-11-18-13-20(21-14-26-21)23(25)22(24)19(18)12-17/h13,15-17,21H,2-12,14H2,1H3
• InChIKey: AKXAWQYZULRASS-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 12.53 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.50
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane?

The IUPAC name of 2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane (CID 89069162) is 2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane.

What is the SMILES notation for 2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane?

The canonical SMILES for 2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane is CCCC1CCC(CCC2CCc3cc(C4CO4)c(F)c(F)c3C2)CC1.

What is the InChIKey of 2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane?

The InChIKey is AKXAWQYZULRASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F2O/c1-2-3-15-4-6-16(7-5-15)8-9-17-10-11-18-13-20(21-14-26-21)23(25)22(24)19(18)12-17/h13,15-17,21H,2-12,14H2,1H3.

What are the key properties of 2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane?

2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane has a molecular weight of 362.50 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,4-difluoro-6-[2-(4-propylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxirane is sourced from PubChem (CID 89069162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).