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

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

CAS: 75631-71-9

Formula: C7H9F3O4

SMILES: CCOC(=O)C(OC)C(=O)C(F)(F)F

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

InChI: InChI=1/C7H9F3O4/c1-3-14-6(12)4(13-2)5(11)7(8,9)10/h4H,3H2,1-2H3

Composition: C (39.26%), H (4.24%), F (26.62%), O (29.89%)

Molar Mass: 214.14

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 214.045293259
Formal Charge 0
FSP3 0.71
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AOMOAQGFVLCCMN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.16
Topological Polar Surface Area 52.6
Polarizability 15.01
Ring Count 0
Rotatable Bond Count 6

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