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

C16H14F3NO3 — CID 54168033

IUPACethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C16H14F3NO3/c1-2-22-15(21)9-11-3-6-13(7-4-11)23-14-8-5-12(10-20-14)16(17,18)19/h3-8,10H,2,9H2,1H3
InChIKeyOTAJIIBMXDFXGF-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.00
Rot. Bonds5

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

ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate (PubChem CID 54168033) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate
PubChem CID54168033
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Nameethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C16H14F3NO3/c1-2-22-15(21)9-11-3-6-13(7-4-11)23-14-8-5-12(10-20-14)16(17,18)19/h3-8,10H,2,9H2,1H3
InChIKeyOTAJIIBMXDFXGF-UHFFFAOYSA-N
XLogP4.00
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate (CID 54168033) is ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate is CCOC(=O)Cc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate?
The InChIKey is OTAJIIBMXDFXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-2-22-15(21)9-11-3-6-13(7-4-11)23-14-8-5-12(10-20-14)16(17,18)19/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate?
ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate has a molecular weight of 325.29 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]acetate is sourced from PubChem (CID 54168033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).