N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine

C8H9F4N3 — CID 4561709

IUPACN'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine
SMILESNCCCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C8H9F4N3/c9-4-6(14-3-1-2-13)5(10)8(12)15-7(4)11/h1-3,13H2,(H,14,15)
InChIKeyOUMNTBZHXXAOSP-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.40
Rot. Bonds4

About N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine

N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine (PubChem CID 4561709) has the molecular formula C8H9F4N3 and a molecular weight of 223.17 g/mol. Its IUPAC name is N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine
PubChem CID4561709
Molecular FormulaC8H9F4N3
Molecular Weight223.17 g/mol
Exact Mass223.07
IUPAC NameN'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine
SMILESNCCCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C8H9F4N3/c9-4-6(14-3-1-2-13)5(10)8(12)15-7(4)11/h1-3,13H2,(H,14,15)
InChIKeyOUMNTBZHXXAOSP-UHFFFAOYSA-N
XLogP1.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine?
The IUPAC name of N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine (CID 4561709) is N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine is NCCCNc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine?
The InChIKey is OUMNTBZHXXAOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3/c9-4-6(14-3-1-2-13)5(10)8(12)15-7(4)11/h1-3,13H2,(H,14,15).
What are the key properties of N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine?
N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine has a molecular weight of 223.17 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 4561709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).