Methyl 4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]benzenepropanoate

HCID 20151856
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Basic information

Standard SMILES
COC(=O)CCc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIKey
HVNJUXJYISETDB-UHFFFAOYSA-N
Molecular formula
C13H12F6O3
Average molar mass
330.22 g/mol
Monoisotopic mass
330.06906321

Names & identifiers

Preferred name
Methyl 4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]benzenepropanoate
IUPAC
methyl 3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propanoate

Names & synonyms

methyl 4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]benzenepropanoateSCHEMBL10688441

Database identifiers

PubChem CID
20151856

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
22

Related reactions

1 records
New reaction record

Linked notes

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