[4-(2,2,2-Trifluoro-1,1-dimethylethyl)phenoxy]acetic acid

HCID 21097486
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Basic information

Standard SMILES
CC(C)(c1ccc(OCC(=O)O)cc1)C(F)(F)F
InChIKey
GIYOUHAPNXEWKI-UHFFFAOYSA-N
Molecular formula
C12H13F3O3
Average molar mass
262.22 g/mol
Monoisotopic mass
262.08167876

Names & identifiers

Preferred name
[4-(2,2,2-Trifluoro-1,1-dimethylethyl)phenoxy]acetic acid
IUPAC
2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]acetic acid

Names & synonyms

[4-(2,2,2-Trifluoro-1,1-dimethylethyl)phenoxy]acetic acidSCHEMBL4642558

Database identifiers

PubChem CID
21097486

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
18

Related reactions

5 records
New reaction record

Compound notes

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