3-(1,1-difluorobut-3-en-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(1,1-difluorobut-3-en-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

CAS: 477889-55-7

Formula: C11H8F5N3

SMILES: FC(F)(F)C1=CC=CN2C1=NN=C2C(F)(F)CC=C

IUPAC: 3-(1,1-difluorobut-3-en-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

InChI: InChI=1S/C11H8F5N3/c1-2-5-10(12,13)9-18-17-8-7(11(14,15)16)4-3-6-19(8)9/h2-4,6H,1,5H2

Composition: C (47.66%), H (2.91%), F (34.27%), N (15.16%)

Molar Mass: 277.198

Atom Count: 27

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	277.063838085
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WZQBYAUWVBAQMX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.82
Topological Polar Surface Area	30.19
Polarizability	20.5
Ring Count	2
Rotatable Bond Count	4

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90%	<2 Days	477889-55-7		$51.35-$524.40$51.35$63.37$86.31$524.40