N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine

C8H9F4N3 — CID 21271640

IUPACN'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine
SMILESNCCNCc1c(F)nc(F)c(F)c1F
InChIInChI=1S/C8H9F4N3/c9-5-4(3-14-2-1-13)7(11)15-8(12)6(5)10/h14H,1-3,13H2
InChIKeyIPYHUXTXHIRSSF-UHFFFAOYSA-N
MW223.17 g/mol
LogP0.69
Rot. Bonds4

About N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine

N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 21271640) has the molecular formula C8H9F4N3 and a molecular weight of 223.17 g/mol. Its IUPAC name is N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID21271640
Molecular FormulaC8H9F4N3
Molecular Weight223.17 g/mol
Exact Mass223.07
IUPAC NameN'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine
SMILESNCCNCc1c(F)nc(F)c(F)c1F
InChIInChI=1S/C8H9F4N3/c9-5-4(3-14-2-1-13)7(11)15-8(12)6(5)10/h14H,1-3,13H2
InChIKeyIPYHUXTXHIRSSF-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
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'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine (CID 21271640) is N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine is NCCNCc1c(F)nc(F)c(F)c1F.
What is the InChIKey of N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is IPYHUXTXHIRSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3/c9-5-4(3-14-2-1-13)7(11)15-8(12)6(5)10/h14H,1-3,13H2.
What are the key properties of N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine?
N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 223.17 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4,5,6-tetrafluoro-3-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 21271640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).