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

C5H3F4N — CID 163501932

IUPAC2,3,5,6-tetrafluoro-2,3-dihydropyridine
SMILESFC1=CC(F)C(F)N=C1F
InChIInChI=1S/C5H3F4N/c6-2-1-3(7)5(9)10-4(2)8/h1-2,4H
InChIKeyCVMQIWCQWNTTBN-UHFFFAOYSA-N
MW153.08 g/mol
LogP1.86
Rot. Bonds

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

2,3,5,6-tetrafluoro-2,3-dihydropyridine (PubChem CID 163501932) has the molecular formula C5H3F4N and a molecular weight of 153.08 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-2,3-dihydropyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-2,3-dihydropyridine
PubChem CID163501932
Molecular FormulaC5H3F4N
Molecular Weight153.08 g/mol
Exact Mass153.02
IUPAC Name2,3,5,6-tetrafluoro-2,3-dihydropyridine
SMILESFC1=CC(F)C(F)N=C1F
InChIInChI=1S/C5H3F4N/c6-2-1-3(7)5(9)10-4(2)8/h1-2,4H
InChIKeyCVMQIWCQWNTTBN-UHFFFAOYSA-N
XLogP1.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.08
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,3,5,6-tetrafluoro-2,3-dihydropyridine with MolForge

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

Launch Full Analysis

Related Compounds

5,6-Difluoro-3-methyl-2,3-dihydropyridine
CID 90697100
6-Fluoro-5-(trifluoromethyl)-2,3-dihydropyridine
CID 123936766
2,6-Difluoro-2,3-dihydropyridine
CID 134567908
6-Bromo-3,5-difluoro-2,3-dihydropyridine
CID 146397651
2,5-Difluoro-2,3-dihydropyridine
CID 167066134

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-2,3-dihydropyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-2,3-dihydropyridine (CID 163501932) is 2,3,5,6-tetrafluoro-2,3-dihydropyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-2,3-dihydropyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-2,3-dihydropyridine is FC1=CC(F)C(F)N=C1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-2,3-dihydropyridine?
The InChIKey is CVMQIWCQWNTTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4N/c6-2-1-3(7)5(9)10-4(2)8/h1-2,4H.
What are the key properties of 2,3,5,6-tetrafluoro-2,3-dihydropyridine?
2,3,5,6-tetrafluoro-2,3-dihydropyridine has a molecular weight of 153.08 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-2,3-dihydropyridine is sourced from PubChem (CID 163501932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).