ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate

ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate

CAS: 118642-72-1

Formula: C13H13F3O3

SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)C(F)(F)F

IUPAC: ethyl 2-benzyl-4,4,4-trifluoro-3-oxobutanoate

InChI: InChI=1/C13H13F3O3/c1-2-19-12(18)10(11(17)13(14,15)16)8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3

Composition: C (56.94%), H (4.78%), F (20.78%), O (17.50%)

Molar Mass: 274.239

Atom Count: 32

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	274.081678768
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YDYTURLXGFPZQI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.34
Topological Polar Surface Area	43.37
Polarizability	23.44
Ring Count	1
Rotatable Bond Count	7

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