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Methyl 2-(4-trifluoromethyl-2-pyridyloxy)propionate

HCID 22270664
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
COC(=O)C(C)Oc1cc(C(F)(F)F)ccn1
InChIKey
JDQRTWPIXYPHKL-UHFFFAOYSA-N
Molecular formula
C10H10F3NO3
Average molar mass
249.19 g/mol

Names & identifiers

Preferred name
Methyl 2-(4-trifluoromethyl-2-pyridyloxy)propionate
IUPAC
methyl 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate

Names & synonyms

methyl 2-(4-trifluoromethyl-2-pyridyloxy)propionateSCHEMBL3371910DB-142824Methyl 2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanoate605681-32-1

Database identifiers

PubChem CID
22270664

Properties

Computed structural propertiesFilling in

XLogP
2.4
Topological polar surface area
48.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
270

Related reactions

7 records
New reaction record
HRID 102547 reaction equation
HRID 102547As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 488615 reaction equation
HRID 488615As productuspto-grants-2005_12
HRID 825789 reaction equation
HRID 825789As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1160716 reaction equation
HRID 1160716As productuspto-grants-2010_10
HRID 1394560 reaction equation
HRID 1394560As productuspto-grants-2008_03
HRID 1987290 reaction equation
HRID 1987290As productuspto-grants-2009_06
HRID 2104279 reaction equation
HRID 2104279As productuspto-grants-2009_08

Compound notes

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