ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate

C25H25F2NO3 — CID 18987322

IUPACethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate
SMILESCCOC(=O)CCCCCOc1cc(-c2ccc(F)cc2)cc(-c2ccccc2F)n1
InChIInChI=1S/C25H25F2NO3/c1-2-30-25(29)10-4-3-7-15-31-24-17-19(18-11-13-20(26)14-12-18)16-23(28-24)21-8-5-6-9-22(21)27/h5-6,8-9,11-14,16-17H,2-4,7,10,15H2,1H3
InChIKeyRTTWRYBLNCULLU-UHFFFAOYSA-N
MW425.48 g/mol
LogP6.20
Rot. Bonds10

About ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate

ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate (PubChem CID 18987322) has the molecular formula C25H25F2NO3 and a molecular weight of 425.48 g/mol. Its IUPAC name is ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate.

Molecular Properties

Compound Nameethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate
PubChem CID18987322
Molecular FormulaC25H25F2NO3
Molecular Weight425.48 g/mol
Exact Mass425.18
IUPAC Nameethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate
SMILESCCOC(=O)CCCCCOc1cc(-c2ccc(F)cc2)cc(-c2ccccc2F)n1
InChIInChI=1S/C25H25F2NO3/c1-2-30-25(29)10-4-3-7-15-31-24-17-19(18-11-13-20(26)14-12-18)16-23(28-24)21-8-5-6-9-22(21)27/h5-6,8-9,11-14,16-17H,2-4,7,10,15H2,1H3
InChIKeyRTTWRYBLNCULLU-UHFFFAOYSA-N
XLogP6.20
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate?
The IUPAC name of ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate (CID 18987322) is ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate.
What is the SMILES notation for ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate?
The canonical SMILES for ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate is CCOC(=O)CCCCCOc1cc(-c2ccc(F)cc2)cc(-c2ccccc2F)n1.
What is the InChIKey of ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate?
The InChIKey is RTTWRYBLNCULLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2NO3/c1-2-30-25(29)10-4-3-7-15-31-24-17-19(18-11-13-20(26)14-12-18)16-23(28-24)21-8-5-6-9-22(21)27/h5-6,8-9,11-14,16-17H,2-4,7,10,15H2,1H3.
What are the key properties of ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate?
ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate has a molecular weight of 425.48 g/mol, XLogP of 6.20, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[6-(2-fluorophenyl)-4-(4-fluorophenyl)-2-pyridinyl]oxy]hexanoate is sourced from PubChem (CID 18987322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).