2,3,5,6-tetrafluoro-1,2-dihydropyridine

C5H3F4N — CID 18367515

IUPAC2,3,5,6-tetrafluoro-1,2-dihydropyridine
SMILESFC1=CC(F)=C(F)NC1F
InChIInChI=1S/C5H3F4N/c6-2-1-3(7)5(9)10-4(2)8/h1,4,10H
InChIKeyILGLHHGXBZAWCX-UHFFFAOYSA-N
MW153.08 g/mol
LogP1.85
Rot. Bonds

About 2,3,5,6-tetrafluoro-1,2-dihydropyridine

2,3,5,6-tetrafluoro-1,2-dihydropyridine (PubChem CID 18367515) has the molecular formula C5H3F4N and a molecular weight of 153.08 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-1,2-dihydropyridine
PubChem CID18367515
Molecular FormulaC5H3F4N
Molecular Weight153.08 g/mol
Exact Mass153.02
IUPAC Name2,3,5,6-tetrafluoro-1,2-dihydropyridine
SMILESFC1=CC(F)=C(F)NC1F
InChIInChI=1S/C5H3F4N/c6-2-1-3(7)5(9)10-4(2)8/h1,4,10H
InChIKeyILGLHHGXBZAWCX-UHFFFAOYSA-N
XLogP1.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.08
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-1,2-dihydropyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-1,2-dihydropyridine (CID 18367515) is 2,3,5,6-tetrafluoro-1,2-dihydropyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-1,2-dihydropyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-1,2-dihydropyridine is FC1=CC(F)=C(F)NC1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-1,2-dihydropyridine?
The InChIKey is ILGLHHGXBZAWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4N/c6-2-1-3(7)5(9)10-4(2)8/h1,4,10H.
What are the key properties of 2,3,5,6-tetrafluoro-1,2-dihydropyridine?
2,3,5,6-tetrafluoro-1,2-dihydropyridine has a molecular weight of 153.08 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-1,2-dihydropyridine is sourced from PubChem (CID 18367515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).