4-ethynyl-2-(trifluoromethyl)pyridine

4-ethynyl-2-(trifluoromethyl)pyridine

CAS: 1196151-89-9

Formula: C8H4F3N

SMILES: FC(F)(F)C1=CC(=CC=N1)C#C

IUPAC: 4-ethynyl-2-(trifluoromethyl)pyridine

InChI: InChI=1S/C8H4F3N/c1-2-6-3-4-12-7(5-6)8(9,10)11/h1,3-5H

Composition: C (56.15%), H (2.36%), F (33.31%), N (8.19%)

Molar Mass: 171.122

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.029583622
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	JYWOVWLNLZZGQW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.68
Topological Polar Surface Area	12.89
Polarizability	13.22
Ring Count	1
Rotatable Bond Count	1

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