6-(2,2,2-Trifluoro-ethoxymethyl)-pyridin-2-ylamine

HCID 68845375

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Nc1cccc(COCC(F)(F)F)n1
InChIKey: NRSYNMVYESBLSR-UHFFFAOYSA-N
Molecular formula: C8H9F3N2O
Average molar mass: 206.16 g/mol
Monoisotopic mass: 206.0666974

Names & identifiers

Preferred name: 6-(2,2,2-Trifluoro-ethoxymethyl)-pyridin-2-ylamine
IUPAC: 6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine

Names & synonyms

6-(2,2,2-Trifluoro-ethoxymethyl)-pyridin-2-ylamineSCHEMBL3934799AKOS017791552

Database identifiers

PubChem CID: 68845375

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 48.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 174

Related reactions

10 records

New reaction record

HRID 103833As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 167445As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 830177As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1136820As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1454891As productuspto-grants-2009_01

HRID 1454892As reactantuspto-grants-2009_01

HRID 1454893As reactantuspto-grants-2009_01

HRID 1454899As reactantuspto-grants-2009_01

Compound notes

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