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

C13H8F8N4 — CID 3973534

IUPACN,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine
SMILESFc1nc(F)c(F)c(NCCCNc2c(F)c(F)nc(F)c2F)c1F
InChIInChI=1S/C13H8F8N4/c14-4-8(5(15)11(19)24-10(4)18)22-2-1-3-23-9-6(16)12(20)25-13(21)7(9)17/h1-3H2,(H,22,24)(H,23,25)
InChIKeySXFVOOSWOKCVKQ-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.50
Rot. Bonds6

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

N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine (PubChem CID 3973534) has the molecular formula C13H8F8N4 and a molecular weight of 372.22 g/mol. Its IUPAC name is N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine
PubChem CID3973534
Molecular FormulaC13H8F8N4
Molecular Weight372.22 g/mol
Exact Mass372.06
IUPAC NameN,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine
SMILESFc1nc(F)c(F)c(NCCCNc2c(F)c(F)nc(F)c2F)c1F
InChIInChI=1S/C13H8F8N4/c14-4-8(5(15)11(19)24-10(4)18)22-2-1-3-23-9-6(16)12(20)25-13(21)7(9)17/h1-3H2,(H,22,24)(H,23,25)
InChIKeySXFVOOSWOKCVKQ-UHFFFAOYSA-N
XLogP3.50
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine (CID 3973534) is N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine is Fc1nc(F)c(F)c(NCCCNc2c(F)c(F)nc(F)c2F)c1F.
What is the InChIKey of N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine?
The InChIKey is SXFVOOSWOKCVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F8N4/c14-4-8(5(15)11(19)24-10(4)18)22-2-1-3-23-9-6(16)12(20)25-13(21)7(9)17/h1-3H2,(H,22,24)(H,23,25).
What are the key properties of N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine?
N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine has a molecular weight of 372.22 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 3973534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).