3-(trifluoromethyl)-1,2-dihydropyridine

C6H6F3N — CID 18330446

IUPAC3-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC=CNC1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-3,10H,4H2
InChIKeyVMGCUKNOVMNWJV-UHFFFAOYSA-N
MW149.12 g/mol
LogP1.59
Rot. Bonds

About 3-(trifluoromethyl)-1,2-dihydropyridine

3-(trifluoromethyl)-1,2-dihydropyridine (PubChem CID 18330446) has the molecular formula C6H6F3N and a molecular weight of 149.12 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2-dihydropyridine
PubChem CID18330446
Molecular FormulaC6H6F3N
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name3-(trifluoromethyl)-1,2-dihydropyridine
SMILESFC(F)(F)C1=CC=CNC1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-3,10H,4H2
InChIKeyVMGCUKNOVMNWJV-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(trifluoromethyl)-1,2-dihydropyridine 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 3-(trifluoromethyl)-1,2-dihydropyridine?
The IUPAC name of 3-(trifluoromethyl)-1,2-dihydropyridine (CID 18330446) is 3-(trifluoromethyl)-1,2-dihydropyridine.
What is the SMILES notation for 3-(trifluoromethyl)-1,2-dihydropyridine?
The canonical SMILES for 3-(trifluoromethyl)-1,2-dihydropyridine is FC(F)(F)C1=CC=CNC1.
What is the InChIKey of 3-(trifluoromethyl)-1,2-dihydropyridine?
The InChIKey is VMGCUKNOVMNWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c7-6(8,9)5-2-1-3-10-4-5/h1-3,10H,4H2.
What are the key properties of 3-(trifluoromethyl)-1,2-dihydropyridine?
3-(trifluoromethyl)-1,2-dihydropyridine has a molecular weight of 149.12 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2-dihydropyridine is sourced from PubChem (CID 18330446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).