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2-ethynyl-5-(trifluoromethyl)pyridine

2-ethynyl-5-(trifluoromethyl)pyridine

CAS: 379670-42-5

Formula: C8H4F3N

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

IUPAC: 2-ethynyl-5-(trifluoromethyl)pyridine

InChI: InChI=1S/C8H4F3N/c1-2-7-4-3-6(5-12-7)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 PISOZFXTSONWKH-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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95% <5 Days 379670-42-5 $1,600.00-$4,234.00$1,600.00$2,772.00$4,234.00
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