3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid

C10H9F3O3 — CID 115039955

IUPAC3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)8(9(15)16)5-6-1-3-7(14)4-2-6/h1-4,8,14H,5H2,(H,15,16)
InChIKeyGTQFVTJKKODBQR-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.20
Rot. Bonds3

About 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid

3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid (PubChem CID 115039955) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid
PubChem CID115039955
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid
SMILESO=C(O)C(Cc1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C10H9F3O3/c11-10(12,13)8(9(15)16)5-6-1-3-7(14)4-2-6/h1-4,8,14H,5H2,(H,15,16)
InChIKeyGTQFVTJKKODBQR-UHFFFAOYSA-N
XLogP2.20
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-benzyl-3,3,3-trifluoropropanoic acid
CID 101484262
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
(2R)-3-(4-hydroxyphenyl)-2-(3,3,3-trifluoropropanoylamino)propanoic acid
CID 30047489
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054
(2R)-2-(dideuterioamino)-3-(4-hydroxyphenyl)propanoic acid
CID 138986902

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid (CID 115039955) is 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid is O=C(O)C(Cc1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid?
The InChIKey is GTQFVTJKKODBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-10(12,13)8(9(15)16)5-6-1-3-7(14)4-2-6/h1-4,8,14H,5H2,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid?
3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid has a molecular weight of 234.17 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(4-hydroxyphenyl)methyl]propanoic acid is sourced from PubChem (CID 115039955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).