6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid

C24H22F3NO3 — CID 10071290

IUPAC6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H22F3NO3/c25-24(26,27)20-12-10-17(11-13-20)19-15-21(18-7-3-1-4-8-18)28-22(16-19)31-14-6-2-5-9-23(29)30/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,29,30)
InChIKeyXTXDJNFPMDIHOD-UHFFFAOYSA-N
MW429.44 g/mol
LogP6.46
Rot. Bonds9

About 6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid

6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid (PubChem CID 10071290) has the molecular formula C24H22F3NO3 and a molecular weight of 429.44 g/mol. Its IUPAC name is 6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid.

Molecular Properties

Compound Name6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid
PubChem CID10071290
Molecular FormulaC24H22F3NO3
Molecular Weight429.44 g/mol
Exact Mass429.16
IUPAC Name6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid
SMILESO=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1
InChIInChI=1S/C24H22F3NO3/c25-24(26,27)20-12-10-17(11-13-20)19-15-21(18-7-3-1-4-8-18)28-22(16-19)31-14-6-2-5-9-23(29)30/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,29,30)
InChIKeyXTXDJNFPMDIHOD-UHFFFAOYSA-N
XLogP6.46
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid?
The IUPAC name of 6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid (CID 10071290) is 6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid.
What is the SMILES notation for 6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid?
The canonical SMILES for 6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid is O=C(O)CCCCCOc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1.
What is the InChIKey of 6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid?
The InChIKey is XTXDJNFPMDIHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3NO3/c25-24(26,27)20-12-10-17(11-13-20)19-15-21(18-7-3-1-4-8-18)28-22(16-19)31-14-6-2-5-9-23(29)30/h1,3-4,7-8,10-13,15-16H,2,5-6,9,14H2,(H,29,30).
What are the key properties of 6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid?
6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid has a molecular weight of 429.44 g/mol, XLogP of 6.46, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-phenyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]hexanoic acid is sourced from PubChem (CID 10071290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).