1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine

C13H11F3N2 — CID 83124942

IUPAC1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(N)(c1ccc(F)cn1)c1ccc(F)cc1F
InChIInChI=1S/C13H11F3N2/c1-13(17,12-5-3-9(15)7-18-12)10-4-2-8(14)6-11(10)16/h2-7H,17H2,1H3
InChIKeyYHZKHMUBLKYKIM-UHFFFAOYSA-N
MW252.24 g/mol
LogP2.72
Rot. Bonds2

About 1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine

1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 83124942) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID83124942
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(N)(c1ccc(F)cn1)c1ccc(F)cc1F
InChIInChI=1S/C13H11F3N2/c1-13(17,12-5-3-9(15)7-18-12)10-4-2-8(14)6-11(10)16/h2-7H,17H2,1H3
InChIKeyYHZKHMUBLKYKIM-UHFFFAOYSA-N
XLogP2.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine (CID 83124942) is 1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine is CC(N)(c1ccc(F)cn1)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is YHZKHMUBLKYKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c1-13(17,12-5-3-9(15)7-18-12)10-4-2-8(14)6-11(10)16/h2-7H,17H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine?
1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 252.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 83124942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).