2,3,5-trifluoro-1,2-dihydropyridine

C5H4F3N — CID 23221433

IUPAC2,3,5-trifluoro-1,2-dihydropyridine
SMILESFC1=CNC(F)C(F)=C1
InChIInChI=1S/C5H4F3N/c6-3-1-4(7)5(8)9-2-3/h1-2,5,9H
InChIKeyXJTSISLFGGERFM-UHFFFAOYSA-N
MW135.09 g/mol
LogP1.55
Rot. Bonds

About 2,3,5-trifluoro-1,2-dihydropyridine

2,3,5-trifluoro-1,2-dihydropyridine (PubChem CID 23221433) has the molecular formula C5H4F3N and a molecular weight of 135.09 g/mol. Its IUPAC name is 2,3,5-trifluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name2,3,5-trifluoro-1,2-dihydropyridine
PubChem CID23221433
Molecular FormulaC5H4F3N
Molecular Weight135.09 g/mol
Exact Mass135.03
IUPAC Name2,3,5-trifluoro-1,2-dihydropyridine
SMILESFC1=CNC(F)C(F)=C1
InChIInChI=1S/C5H4F3N/c6-3-1-4(7)5(8)9-2-3/h1-2,5,9H
InChIKeyXJTSISLFGGERFM-UHFFFAOYSA-N
XLogP1.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 51.55
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-trifluoro-1,2-dihydropyridine?
The IUPAC name of 2,3,5-trifluoro-1,2-dihydropyridine (CID 23221433) is 2,3,5-trifluoro-1,2-dihydropyridine.
What is the SMILES notation for 2,3,5-trifluoro-1,2-dihydropyridine?
The canonical SMILES for 2,3,5-trifluoro-1,2-dihydropyridine is FC1=CNC(F)C(F)=C1.
What is the InChIKey of 2,3,5-trifluoro-1,2-dihydropyridine?
The InChIKey is XJTSISLFGGERFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N/c6-3-1-4(7)5(8)9-2-3/h1-2,5,9H.
What are the key properties of 2,3,5-trifluoro-1,2-dihydropyridine?
2,3,5-trifluoro-1,2-dihydropyridine has a molecular weight of 135.09 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-1,2-dihydropyridine is sourced from PubChem (CID 23221433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).