6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid

C24H26F6O3 — CID 161019767

About 6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid

6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid (PubChem CID 161019767) has the molecular formula C24H26F6O3 and a molecular weight of 476.46 g/mol. Its IUPAC name is 6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid.

Molecular Properties

• Compound Name: 6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid
• PubChem CID: 161019767
• Molecular Formula: C24H26F6O3
• Molecular Weight: 476.46 g/mol
• Exact Mass: 476.18
• IUPAC Name: 6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid
• SMILES: O=C(O)CCCCCc1cccc2c(C(F)(F)F)c(OC3CCC(C(F)(F)F)CC3)ccc12
• InChI: InChI=1S/C24H26F6O3/c25-23(26,27)16-9-11-17(12-10-16)33-20-14-13-18-15(5-2-1-3-8-21(31)32)6-4-7-19(18)22(20)24(28,29)30/h4,6-7,13-14,16-17H,1-3,5,8-12H2,(H,31,32)
• InChIKey: ZKGJUSYDKHRGKY-UHFFFAOYSA-N
• XLogP: 7.55
• TPSA: 46.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.46
LogP ≤ 5	7.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid?

The IUPAC name of 6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid (CID 161019767) is 6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid.

What is the SMILES notation for 6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid?

The canonical SMILES for 6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid is O=C(O)CCCCCc1cccc2c(C(F)(F)F)c(OC3CCC(C(F)(F)F)CC3)ccc12.

What is the InChIKey of 6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid?

The InChIKey is ZKGJUSYDKHRGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6O3/c25-23(26,27)16-9-11-17(12-10-16)33-20-14-13-18-15(5-2-1-3-8-21(31)32)6-4-7-19(18)22(20)24(28,29)30/h4,6-7,13-14,16-17H,1-3,5,8-12H2,(H,31,32).

What are the key properties of 6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid?

6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid has a molecular weight of 476.46 g/mol, XLogP of 7.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-1-yl]hexanoic acid is sourced from PubChem (CID 161019767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).