2-hydroxy-5-(trifluoromethoxy)benzoic acid

C8H5F3O4 — CID 2775103

IUPAC2-hydroxy-5-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C8H5F3O4/c9-8(10,11)15-4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)
InChIKeyHNYMLXYADOZCNY-UHFFFAOYSA-N
MW222.12 g/mol
LogP1.99
Rot. Bonds2

About 2-hydroxy-5-(trifluoromethoxy)benzoic acid

2-hydroxy-5-(trifluoromethoxy)benzoic acid (PubChem CID 2775103) has the molecular formula C8H5F3O4 and a molecular weight of 222.12 g/mol. Its IUPAC name is 2-hydroxy-5-(trifluoromethoxy)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(trifluoromethoxy)benzoic acid
PubChem CID2775103
Molecular FormulaC8H5F3O4
Molecular Weight222.12 g/mol
Exact Mass222.01
IUPAC Name2-hydroxy-5-(trifluoromethoxy)benzoic acid
SMILESO=C(O)c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C8H5F3O4/c9-8(10,11)15-4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)
InChIKeyHNYMLXYADOZCNY-UHFFFAOYSA-N
XLogP1.99
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003
2-carboxy-4-(trifluoromethoxy)phenolate
CID 54711457
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone
CID 170998248
2-bromo-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134619101
CID 160866192
CID 160866192
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475
[2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone
CID 58753930
5-(trifluoromethoxy)-2-[3-(trifluoromethoxy)benzoyl]benzoic acid
CID 22079272
(2S)-2-amino-2-[2-hydroxy-5-(trifluoromethoxy)phenyl]acetic acid
CID 66512842

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(trifluoromethoxy)benzoic acid?
The IUPAC name of 2-hydroxy-5-(trifluoromethoxy)benzoic acid (CID 2775103) is 2-hydroxy-5-(trifluoromethoxy)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(trifluoromethoxy)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(trifluoromethoxy)benzoic acid is O=C(O)c1cc(OC(F)(F)F)ccc1O.
What is the InChIKey of 2-hydroxy-5-(trifluoromethoxy)benzoic acid?
The InChIKey is HNYMLXYADOZCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O4/c9-8(10,11)15-4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14).
What are the key properties of 2-hydroxy-5-(trifluoromethoxy)benzoic acid?
2-hydroxy-5-(trifluoromethoxy)benzoic acid has a molecular weight of 222.12 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(trifluoromethoxy)benzoic acid is sourced from PubChem (CID 2775103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).