4-(trifluoromethyl)-2,5-dihydropyridine

C6H6F3N — CID 91046941

IUPAC4-(trifluoromethyl)-2,5-dihydropyridine
SMILESFC(F)(F)C1=CCN=CC1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-1-3-10-4-2-5/h1,4H,2-3H2
InChIKeyLQDBVCPLJAZGSP-UHFFFAOYSA-N
MW149.12 g/mol
LogP1.95
Rot. Bonds

About 4-(trifluoromethyl)-2,5-dihydropyridine

4-(trifluoromethyl)-2,5-dihydropyridine (PubChem CID 91046941) has the molecular formula C6H6F3N and a molecular weight of 149.12 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2,5-dihydropyridine.

Molecular Properties

Compound Name4-(trifluoromethyl)-2,5-dihydropyridine
PubChem CID91046941
Molecular FormulaC6H6F3N
Molecular Weight149.12 g/mol
Exact Mass149.05
IUPAC Name4-(trifluoromethyl)-2,5-dihydropyridine
SMILESFC(F)(F)C1=CCN=CC1
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-1-3-10-4-2-5/h1,4H,2-3H2
InChIKeyLQDBVCPLJAZGSP-UHFFFAOYSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2,5-dihydropyridine?
The IUPAC name of 4-(trifluoromethyl)-2,5-dihydropyridine (CID 91046941) is 4-(trifluoromethyl)-2,5-dihydropyridine.
What is the SMILES notation for 4-(trifluoromethyl)-2,5-dihydropyridine?
The canonical SMILES for 4-(trifluoromethyl)-2,5-dihydropyridine is FC(F)(F)C1=CCN=CC1.
What is the InChIKey of 4-(trifluoromethyl)-2,5-dihydropyridine?
The InChIKey is LQDBVCPLJAZGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c7-6(8,9)5-1-3-10-4-2-5/h1,4H,2-3H2.
What are the key properties of 4-(trifluoromethyl)-2,5-dihydropyridine?
4-(trifluoromethyl)-2,5-dihydropyridine has a molecular weight of 149.12 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2,5-dihydropyridine is sourced from PubChem (CID 91046941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).