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6,6,6-trifluoro-2,2-dimethylhex-4-yn-3-one

6,6,6-trifluoro-2,2-dimethylhex-4-yn-3-one

Formula: C8H9F3O

SMILES: CC(C)(C)C(=O)C#CC(F)(F)F

IUPAC: 6,6,6-trifluoro-2,2-dimethylhex-4-yn-3-one

InChI: InChI=1S/C8H9F3O/c1-7(2,3)6(12)4-5-8(9,10)11/h1-3H3

Composition: C (53.94%), H (5.09%), F (31.99%), O (8.98%)

Molar Mass: 178.154

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 178.060549399
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey OTXSLOHLIPHJHM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.47
Topological Polar Surface Area 17.07
Polarizability 13.9
Ring Count 0
Rotatable Bond Count 3

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C8H9F3O $1,540.00-$2,860.00$1,540.00$1,760.00$2,860.00
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