ethyl 4,4,4-trifluoro-3-oxo-2-phenylbutanoate

ethyl 4,4,4-trifluoro-3-oxo-2-phenylbutanoate

Formula: C12H11F3O3

SMILES: CCOC(=O)C(C(=O)C(F)(F)F)C1=CC=CC=C1

IUPAC: ethyl 4,4,4-trifluoro-3-oxo-2-phenylbutanoate

InChI: InChI=1/C12H11F3O3/c1-2-18-11(17)9(10(16)12(13,14)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3

Composition: C (55.39%), H (4.26%), F (21.90%), O (18.45%)

Molar Mass: 260.212

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	260.066028703
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HUGYYFQQENWPFS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.74
Topological Polar Surface Area	43.37
Polarizability	21.64
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H11F3O3		Quote Only