COC(=O)C(C(F)(F)F)(C(F)(F)F)O
CAS: 7594-51-6
Name: methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate
SMILES: COC(=O)C(C(F)(F)F)(C(F)(F)F)O

Molecular Processing

Molecular formula
C5H4F6O3
Molecular weight
226.07
Exact mass
226.0065
XLogP
1.02
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
29.08

Supplementary Information

InChIKey: GZNNMGJAIPPJBM-UHFFFAOYSA-N
Synonyms
7594-51-6Methyl 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoatemethyl 3,3,3-trifluoro-2-hydroxy-2-trifluoromethylpropionateMFCD011173362-Hydroxy-2-trifluoromethyl-3,3,3-trifluoropropionic Acid Methyl Ester;starbld0009937SCHEMBL867202SY382991G73863F553796methyl 2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropionateMethyl 333-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoate2-hydroxy-3,3,3-trifluoro-2-trifluoromethylpropionic acid methyl ester
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Involved in 8 reactions→

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