5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid

C9H7F3O3 — CID 91883399

IUPAC5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid
SMILESO=C(O)c1cc(O)ccc1CC(F)(F)F
InChIInChI=1S/C9H7F3O3/c10-9(11,12)4-5-1-2-6(13)3-7(5)8(14)15/h1-3,13H,4H2,(H,14,15)
InChIKeyFDJBAUAWLHPASH-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.20
Rot. Bonds2

About 5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid

5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid (PubChem CID 91883399) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is 5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid
PubChem CID91883399
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid
SMILESO=C(O)c1cc(O)ccc1CC(F)(F)F
InChIInChI=1S/C9H7F3O3/c10-9(11,12)4-5-1-2-6(13)3-7(5)8(14)15/h1-3,13H,4H2,(H,14,15)
InChIKeyFDJBAUAWLHPASH-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis(2,2,2-trifluoroethyl)benzoic acid
CID 87232207
5-hydroxy-2-propylbenzoic acid
CID 23105136
3-propan-2-yl-4-(2,2,2-trifluoroethyl)phenol
CID 166533091
4-hydroxy-3-(2,2,2-trifluoroethyl)benzoic acid
CID 174573834
4-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)benzoic acid
CID 175262025
4-methyl-3-(2,2,2-trifluoroethyl)phenol
CID 16756490
3-methyl-4-(2,2,2-trifluoroethyl)benzoic acid
CID 91883693
4-hydroxyphthalic acid;hydrate
CID 171991193
5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid
CID 117221103
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
2-[3-iodo-4-(2,2,2-trifluoroethyl)phenyl]acetic acid
CID 91883200
5-fluoro-2-(4,4,4-trifluorobutoxymethyl)benzoic acid
CID 82793146

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid?
The IUPAC name of 5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid (CID 91883399) is 5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid.
What is the SMILES notation for 5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid?
The canonical SMILES for 5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid is O=C(O)c1cc(O)ccc1CC(F)(F)F.
What is the InChIKey of 5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid?
The InChIKey is FDJBAUAWLHPASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c10-9(11,12)4-5-1-2-6(13)3-7(5)8(14)15/h1-3,13H,4H2,(H,14,15).
What are the key properties of 5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid?
5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid has a molecular weight of 220.15 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid is sourced from PubChem (CID 91883399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).