5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine

C8H9F3N2O — CID 62193320

IUPAC5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESNc1ccc(COCC(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-14-4-6-1-2-7(12)13-3-6/h1-3H,4-5H2,(H2,12,13)
InChIKeyCRWYQORBEWRACH-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.74
Rot. Bonds3

About 5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine

5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (PubChem CID 62193320) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
PubChem CID62193320
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine
SMILESNc1ccc(COCC(F)(F)F)cn1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-14-4-6-1-2-7(12)13-3-6/h1-3H,4-5H2,(H2,12,13)
InChIKeyCRWYQORBEWRACH-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 5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine (CID 62193320) is 5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is Nc1ccc(COCC(F)(F)F)cn1.
What is the InChIKey of 5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
The InChIKey is CRWYQORBEWRACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)5-14-4-6-1-2-7(12)13-3-6/h1-3H,4-5H2,(H2,12,13).
What are the key properties of 5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine?
5-(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 5-(2,2,2-trifluoroethoxymethyl)pyridin-2-amine is sourced from PubChem (CID 62193320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).