4-hydroxy-2-(trifluoromethyl)benzoic acid

C8H5F3O3 — CID 2775111

IUPAC4-hydroxy-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C8H5F3O3/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h1-3,12H,(H,13,14)
InChIKeyCSQAVQLFCBRQJM-UHFFFAOYSA-N
MW206.12 g/mol
LogP2.11
Rot. Bonds1

About 4-hydroxy-2-(trifluoromethyl)benzoic acid

4-hydroxy-2-(trifluoromethyl)benzoic acid (PubChem CID 2775111) has the molecular formula C8H5F3O3 and a molecular weight of 206.12 g/mol. Its IUPAC name is 4-hydroxy-2-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name4-hydroxy-2-(trifluoromethyl)benzoic acid
PubChem CID2775111
Molecular FormulaC8H5F3O3
Molecular Weight206.12 g/mol
Exact Mass206.02
IUPAC Name4-hydroxy-2-(trifluoromethyl)benzoic acid
SMILESO=C(O)c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C8H5F3O3/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h1-3,12H,(H,13,14)
InChIKeyCSQAVQLFCBRQJM-UHFFFAOYSA-N
XLogP2.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(trifluoromethyl)benzoic acid?
The IUPAC name of 4-hydroxy-2-(trifluoromethyl)benzoic acid (CID 2775111) is 4-hydroxy-2-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 4-hydroxy-2-(trifluoromethyl)benzoic acid?
The canonical SMILES for 4-hydroxy-2-(trifluoromethyl)benzoic acid is O=C(O)c1ccc(O)cc1C(F)(F)F.
What is the InChIKey of 4-hydroxy-2-(trifluoromethyl)benzoic acid?
The InChIKey is CSQAVQLFCBRQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O3/c9-8(10,11)6-3-4(12)1-2-5(6)7(13)14/h1-3,12H,(H,13,14).
What are the key properties of 4-hydroxy-2-(trifluoromethyl)benzoic acid?
4-hydroxy-2-(trifluoromethyl)benzoic acid has a molecular weight of 206.12 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 2775111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).