6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine

C8H9F3N2O — CID 68845375

IUPAC6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESNc1cccc(COCC(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-14-4-6-2-1-3-7(12)13-6/h1-3H,4-5H2,(H2,12,13)
InChIKeyNRSYNMVYESBLSR-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.74
Rot. Bonds3

About 6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine

6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (PubChem CID 68845375) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
PubChem CID68845375
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESNc1cccc(COCC(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-14-4-6-2-1-3-7(12)13-6/h1-3H,4-5H2,(H2,12,13)
InChIKeyNRSYNMVYESBLSR-UHFFFAOYSA-N
XLogP1.74
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The IUPAC name of 6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (CID 68845375) is 6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is Nc1cccc(COCC(F)(F)F)n1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The InChIKey is NRSYNMVYESBLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)5-14-4-6-2-1-3-7(12)13-6/h1-3H,4-5H2,(H2,12,13).
What are the key properties of 6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine has a molecular weight of 206.17 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is sourced from PubChem (CID 68845375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).