CCOC(C1=C(C=C(C=C1F)O)F)C(=O)OCC
Name: ethyl 2-(2,6-difluoro-4-hydroxyphenyl)-2-ethoxyacetate
SMILES: CCOC(C1=C(C=C(C=C1F)O)F)C(=O)OCC

Molecular Processing

Molecular formula
C12H14F2O4
Molecular weight
260.24
Exact mass
260.086
XLogP
2.31
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
59.02

Supplementary Information

InChIKey: OARGJUYNGPRMSX-UHFFFAOYSA-N
Synonyme
SCHEMBL5042392OARGJUYNGPRMSX-UHFFFAOYSA-N(RS)-(2,6-difluoro-4-hydroxy-phenyl)-ethoxy-acetic acid ethyl ester
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