[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

C8H9F3N2O — CID 16794552

IUPAC[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESNCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-14-7-6(4-12)2-1-3-13-7/h1-3H,4-5,12H2
InChIKeyKUCFNEZLLQASNW-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.48
Rot. Bonds3

About [2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (PubChem CID 16794552) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
PubChem CID16794552
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESNCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)5-14-7-6(4-12)2-1-3-13-7/h1-3H,4-5,12H2
InChIKeyKUCFNEZLLQASNW-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (CID 16794552) is [2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is NCc1cccnc1OCC(F)(F)F.
What is the InChIKey of [2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The InChIKey is KUCFNEZLLQASNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)5-14-7-6(4-12)2-1-3-13-7/h1-3H,4-5,12H2.
What are the key properties of [2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine has a molecular weight of 206.17 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 16794552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).