[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine

C8H8F4N2O — CID 171787037

IUPAC[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(OCC(F)(F)F)ncc1F
InChIInChI=1S/C8H8F4N2O/c9-6-3-14-7(1-5(6)2-13)15-4-8(10,11)12/h1,3H,2,4,13H2
InChIKeyXSQMBVULFVJVAU-UHFFFAOYSA-N
MW224.16 g/mol
LogP1.62
Rot. Bonds3

About [5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine

[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine (PubChem CID 171787037) has the molecular formula C8H8F4N2O and a molecular weight of 224.16 g/mol. Its IUPAC name is [5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine
PubChem CID171787037
Molecular FormulaC8H8F4N2O
Molecular Weight224.16 g/mol
Exact Mass224.06
IUPAC Name[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine
SMILESNCc1cc(OCC(F)(F)F)ncc1F
InChIInChI=1S/C8H8F4N2O/c9-6-3-14-7(1-5(6)2-13)15-4-8(10,11)12/h1,3H,2,4,13H2
InChIKeyXSQMBVULFVJVAU-UHFFFAOYSA-N
XLogP1.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine?
The IUPAC name of [5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine (CID 171787037) is [5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine?
The canonical SMILES for [5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine is NCc1cc(OCC(F)(F)F)ncc1F.
What is the InChIKey of [5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine?
The InChIKey is XSQMBVULFVJVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O/c9-6-3-14-7(1-5(6)2-13)15-4-8(10,11)12/h1,3H,2,4,13H2.
What are the key properties of [5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine?
[5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine has a molecular weight of 224.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 171787037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).