3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid

C9H7F3O3 — CID 84787274

IUPAC3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(c1ccccc1O)C(F)(F)F
InChIInChI=1S/C9H7F3O3/c10-9(11,12)7(8(14)15)5-3-1-2-4-6(5)13/h1-4,7,13H,(H,14,15)
InChIKeyGTZNYZXWIUBXLR-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.12
Rot. Bonds2

About 3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid

3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid (PubChem CID 84787274) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid
PubChem CID84787274
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid
SMILESO=C(O)C(c1ccccc1O)C(F)(F)F
InChIInChI=1S/C9H7F3O3/c10-9(11,12)7(8(14)15)5-3-1-2-4-6(5)13/h1-4,7,13H,(H,14,15)
InChIKeyGTZNYZXWIUBXLR-UHFFFAOYSA-N
XLogP2.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid
CID 84812531
2-(2-hydroxyphenyl)-3,3-dimethylbutanoic acid
CID 83820422
2-[2-(carboxymethyl)phenyl]-3,3,3-trifluoropropanoic acid
CID 161438422
2-(2-ethylphenyl)-3,3,3-trifluoropropanoic acid
CID 83824014
(2S)-3,3,3-trifluoro-2-(1H-indol-3-yl)propanoic acid
CID 2324682
2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol
CID 66510923
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol
CID 55277980
CID 70117604
CID 70117604
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 73424692
sodium;hydride;2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256812
2-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 118797641
potassium;hydride;(2R)-2-hydroxy-2-(2-hydroxyphenyl)acetic acid
CID 173256865

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid (CID 84787274) is 3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid is O=C(O)C(c1ccccc1O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid?
The InChIKey is GTZNYZXWIUBXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c10-9(11,12)7(8(14)15)5-3-1-2-4-6(5)13/h1-4,7,13H,(H,14,15).
What are the key properties of 3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid?
3,3,3-trifluoro-2-(2-hydroxyphenyl)propanoic acid has a molecular weight of 220.15 g/mol, XLogP of 2.12, 2 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-(2-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 84787274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).