6-((Tetrahydrofuran-2-yl)methoxy)-5-(trifluoromethyl)picolinic acid

HCID 71087646

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)c1ccc(C(F)(F)F)c(OCC2CCCO2)n1
InChIKey: VFHPOBRHWULSFC-UHFFFAOYSA-N
Molecular formula: C12H12F3NO4
Average molar mass: 291.22 g/mol

Names & identifiers

Preferred name: 6-((Tetrahydrofuran-2-yl)methoxy)-5-(trifluoromethyl)picolinic acid
IUPAC: 6-(oxolan-2-ylmethoxy)-5-(trifluoromethyl)pyridine-2-carboxylic acid

Names & synonyms

6-((Tetrahydrofuran-2-yl)methoxy)-5-(trifluoromethyl)picolinic acidSCHEMBL141522936-(Tetrahydro-furan-2-ylmethoxy)-5-trifluoromethyl-pyridine-2-carboxylic acid

Database identifiers

PubChem CID: 71087646

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 68.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 350

Related reactions

8 records

New reaction record

HRID 126509As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 624866As productuspto-grants-2016_04

HRID 624867As reactantuspto-grants-2016_04

HRID 632312As productuspto-grants-2016_04

HRID 632313As reactantuspto-grants-2016_04

HRID 927698As productuspto-grants-2016_03

HRID 927699As reactantuspto-grants-2016_03

HRID 1217918As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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