1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine

C7H6F4N2 — CID 55296697

IUPAC1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine
SMILESCC(N)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C7H6F4N2/c1-2(12)3-4(8)6(10)13-7(11)5(3)9/h2H,12H2,1H3
InChIKeyLEXBKVLIOAVBQQ-UHFFFAOYSA-N
MW194.13 g/mol
LogP1.66
Rot. Bonds1

About 1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine

1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine (PubChem CID 55296697) has the molecular formula C7H6F4N2 and a molecular weight of 194.13 g/mol. Its IUPAC name is 1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine
PubChem CID55296697
Molecular FormulaC7H6F4N2
Molecular Weight194.13 g/mol
Exact Mass194.05
IUPAC Name1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine
SMILESCC(N)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C7H6F4N2/c1-2(12)3-4(8)6(10)13-7(11)5(3)9/h2H,12H2,1H3
InChIKeyLEXBKVLIOAVBQQ-UHFFFAOYSA-N
XLogP1.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine?
The IUPAC name of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine (CID 55296697) is 1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine?
The canonical SMILES for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine is CC(N)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine?
The InChIKey is LEXBKVLIOAVBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2/c1-2(12)3-4(8)6(10)13-7(11)5(3)9/h2H,12H2,1H3.
What are the key properties of 1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine?
1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine has a molecular weight of 194.13 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetrafluoro-4-pyridinyl)ethanamine is sourced from PubChem (CID 55296697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).