ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine

C16H14F3N — CID 144614854

IUPACethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine
SMILESCC.FC(F)(F)c1ccc(C#Cc2ccccc2)nc1
InChIInChI=1S/C14H8F3N.C2H6/c15-14(16,17)12-7-9-13(18-10-12)8-6-11-4-2-1-3-5-11;1-2/h1-5,7,9-10H;1-2H3
InChIKeyVYVKFLMIRJGGDF-UHFFFAOYSA-N
MW277.29 g/mol
LogP4.53
Rot. Bonds

About ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine

ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine (PubChem CID 144614854) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine
PubChem CID144614854
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Nameethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine
SMILESCC.FC(F)(F)c1ccc(C#Cc2ccccc2)nc1
InChIInChI=1S/C14H8F3N.C2H6/c15-14(16,17)12-7-9-13(18-10-12)8-6-11-4-2-1-3-5-11;1-2/h1-5,7,9-10H;1-2H3
InChIKeyVYVKFLMIRJGGDF-UHFFFAOYSA-N
XLogP4.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine 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 ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine (CID 144614854) is ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine is CC.FC(F)(F)c1ccc(C#Cc2ccccc2)nc1.
What is the InChIKey of ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine?
The InChIKey is VYVKFLMIRJGGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N.C2H6/c15-14(16,17)12-7-9-13(18-10-12)8-6-11-4-2-1-3-5-11;1-2/h1-5,7,9-10H;1-2H3.
What are the key properties of ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine?
ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine has a molecular weight of 277.29 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-phenylethynyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 144614854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).