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

C10H9F3O3 — CID 105493906

IUPAC2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid
SMILESCC(F)(c1ccccc1O)C(F)(F)C(=O)O
InChIInChI=1S/C10H9F3O3/c1-9(11,10(12,13)8(15)16)6-4-2-3-5-7(6)14/h2-5,14H,1H3,(H,15,16)
InChIKeyFUIKYMNDCHHFBN-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.30
Rot. Bonds3

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

2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid (PubChem CID 105493906) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid
PubChem CID105493906
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid
SMILESCC(F)(c1ccccc1O)C(F)(F)C(=O)O
InChIInChI=1S/C10H9F3O3/c1-9(11,10(12,13)8(15)16)6-4-2-3-5-7(6)14/h2-5,14H,1H3,(H,15,16)
InChIKeyFUIKYMNDCHHFBN-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Hydroxyphenyl)acetic acid
CID 11970
Homogentisic Acid
CID 780
3'-Hydroxyphenylacetic acid
CID 12122
3-(4-Hydroxyphenyl)propionic acid
CID 10394
Melilotic acid
CID 873
Benzenepropanoic acid, 4-hydroxy-, methyl ester
CID 79706
2-(4-Hydroxyphenyl)propionic acid
CID 102526
4-Hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid
CID 443852
4-Hydroxy-3-methylbenzoic acid
CID 68138
3-Fluoro-4-hydroxybenzeneacetic acid
CID 68014
Methyl (2-hydroxyphenyl)acetate
CID 89719
2,4-Dihydroxybenzenepropanoic acid
CID 96384

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid?
The IUPAC name of 2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid (CID 105493906) is 2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid.
What is the SMILES notation for 2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid?
The canonical SMILES for 2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid is CC(F)(c1ccccc1O)C(F)(F)C(=O)O.
What is the InChIKey of 2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid?
The InChIKey is FUIKYMNDCHHFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-9(11,10(12,13)8(15)16)6-4-2-3-5-7(6)14/h2-5,14H,1H3,(H,15,16).
What are the key properties of 2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid?
2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid has a molecular weight of 234.17 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-(2-hydroxyphenyl)butanoic acid is sourced from PubChem (CID 105493906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).