CCOC(=O)C(=CN(C)C)C(=O)C(F)(F)F
名称: ethyl 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-3-oxobutanoate
SMILES: CCOC(=O)C(=CN(C)C)C(=O)C(F)(F)F

Molecular Processing

Molecular formula
C9H12F3NO3
Molecular weight
239.19
Exact mass
239.0769
XLogP
1.13
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
49.47

Supplementary Information

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