CCC(C(C(=O)O)(F)F)OC(=O)C(=C)C
Name: 2,2-difluoro-3-(2-methylprop-2-enoyloxy)pentanoic acid
SMILES: CCC(C(C(=O)O)(F)F)OC(=O)C(=C)C

Molecular Processing

Molecular formula
C9H12F2O4
Molecular weight
222.19
Exact mass
222.0704
XLogP
1.6
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
15
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
47.57

Supplementary Information

InChIKey: DDUNNQRNNRSLOA-UHFFFAOYSA-N
Synonyme
2,2-difluoro-3-(methacryloyloxy)pentanoic acidSCHEMBL4390291-hydroxycarbonyl-1,1-difluoro-2-butyl methacrylatemethacrylic acid 1-hydroxycarbonyl-1,1-difluoro-2-butyl ester
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