ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate

C19H20F3NO3 — CID 146689002

IUPACethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate
SMILESCCOC(=O)CCCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H20F3NO3/c1-2-25-18(24)6-4-3-5-14-7-10-16(11-8-14)26-17-12-9-15(13-23-17)19(20,21)22/h7-13H,2-6H2,1H3
InChIKeyQBYIEEIPWXXRRG-UHFFFAOYSA-N
MW367.37 g/mol
LogP5.17
Rot. Bonds8

About ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate

ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate (PubChem CID 146689002) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate
PubChem CID146689002
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Nameethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate
SMILESCCOC(=O)CCCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C19H20F3NO3/c1-2-25-18(24)6-4-3-5-14-7-10-16(11-8-14)26-17-12-9-15(13-23-17)19(20,21)22/h7-13H,2-6H2,1H3
InChIKeyQBYIEEIPWXXRRG-UHFFFAOYSA-N
XLogP5.17
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate?
The IUPAC name of ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate (CID 146689002) is ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate.
What is the SMILES notation for ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate?
The canonical SMILES for ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate is CCOC(=O)CCCCc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate?
The InChIKey is QBYIEEIPWXXRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-2-25-18(24)6-4-3-5-14-7-10-16(11-8-14)26-17-12-9-15(13-23-17)19(20,21)22/h7-13H,2-6H2,1H3.
What are the key properties of ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate?
ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate has a molecular weight of 367.37 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pentanoate is sourced from PubChem (CID 146689002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).