5-(Trifluoromethyl)-3,4-dihydropyridine

C6H6F3N — CID 57162541

IUPAC5-(trifluoromethyl)-3,4-dihydropyridine
SMILESC1CC(=CN=C1)C(F)(F)F
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-2-1-3-10-4-5/h3-4H,1-2H2
InChIKeyIBUCBBWHRWQCSX-UHFFFAOYSA-N
MW149.11 g/mol
LogP0.60
Rot. Bonds

About 5-(Trifluoromethyl)-3,4-dihydropyridine

5-(Trifluoromethyl)-3,4-dihydropyridine (PubChem CID 57162541) has the molecular formula C6H6F3N and a molecular weight of 149.11 g/mol. Its IUPAC name is 5-(trifluoromethyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name5-(Trifluoromethyl)-3,4-dihydropyridine
PubChem CID57162541
Molecular FormulaC6H6F3N
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name5-(trifluoromethyl)-3,4-dihydropyridine
SMILESC1CC(=CN=C1)C(F)(F)F
InChIInChI=1S/C6H6F3N/c7-6(8,9)5-2-1-3-10-4-5/h3-4H,1-2H2
InChIKeyIBUCBBWHRWQCSX-UHFFFAOYSA-N
XLogP0.60
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity178

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(Trifluoromethyl)-3,4-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 5-(Trifluoromethyl)-3,4-dihydropyridine?
The IUPAC name of 5-(Trifluoromethyl)-3,4-dihydropyridine (CID 57162541) is 5-(trifluoromethyl)-3,4-dihydropyridine.
What is the SMILES notation for 5-(Trifluoromethyl)-3,4-dihydropyridine?
The canonical SMILES for 5-(Trifluoromethyl)-3,4-dihydropyridine is C1CC(=CN=C1)C(F)(F)F.
What is the InChIKey of 5-(Trifluoromethyl)-3,4-dihydropyridine?
The InChIKey is IBUCBBWHRWQCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N/c7-6(8,9)5-2-1-3-10-4-5/h3-4H,1-2H2.
What are the key properties of 5-(Trifluoromethyl)-3,4-dihydropyridine?
5-(Trifluoromethyl)-3,4-dihydropyridine has a molecular weight of 149.11 g/mol, XLogP of 0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(Trifluoromethyl)-3,4-dihydropyridine is sourced from PubChem (CID 57162541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).