2,3,5-trifluoro-6-hydroxybenzoic acid

C7H3F3O3 — CID 84820872

IUPAC2,3,5-trifluoro-6-hydroxybenzoic acid
SMILESO=C(O)c1c(O)c(F)cc(F)c1F
InChIInChI=1S/C7H3F3O3/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,11H,(H,12,13)
InChIKeyJQMMRIICRFAQRQ-UHFFFAOYSA-N
MW192.09 g/mol
LogP1.51
Rot. Bonds1

About 2,3,5-trifluoro-6-hydroxybenzoic acid

2,3,5-trifluoro-6-hydroxybenzoic acid (PubChem CID 84820872) has the molecular formula C7H3F3O3 and a molecular weight of 192.09 g/mol. Its IUPAC name is 2,3,5-trifluoro-6-hydroxybenzoic acid.

Molecular Properties

Compound Name2,3,5-trifluoro-6-hydroxybenzoic acid
PubChem CID84820872
Molecular FormulaC7H3F3O3
Molecular Weight192.09 g/mol
Exact Mass192.00
IUPAC Name2,3,5-trifluoro-6-hydroxybenzoic acid
SMILESO=C(O)c1c(O)c(F)cc(F)c1F
InChIInChI=1S/C7H3F3O3/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,11H,(H,12,13)
InChIKeyJQMMRIICRFAQRQ-UHFFFAOYSA-N
XLogP1.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.09
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-carboxy-3,4,6-trifluorophenolate
CID 164845116
ethyl 2,3,5-trifluoro-6-hydroxybenzoate
CID 131479608
2,6-difluoro-3,4,5-trihydroxybenzoic acid
CID 45092987
2,6-dibromo-3,5-difluorobenzoic acid
CID 119014383
1-(3,4,6-trifluoro-2-hydroxyphenyl)ethanone
CID 164772496
2-(3-bromo-2,5-difluoro-6-hydroxyphenyl)-2-oxoacetic acid
CID 117450954
2-(5-chloro-2,3-difluoro-6-hydroxyphenyl)-2-oxoacetic acid
CID 117345701
3-fluoro-2-hydroxy-6-methylbenzoic acid
CID 64855766
but-2-yne-1,4-diol;methanesulfonic acid;2,3,5,6-tetrafluorobenzoic acid
CID 87347581
5-fluoro-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid
CID 67784866
copper bis((Z)-3-oxo-1,3-bis(2,3,5,6-tetrafluorophenyl)prop-1-en-1-olate)
CID 139199034
3-amino-2,4-difluoro-6-hydroxybenzoic acid
CID 84770911

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trifluoro-6-hydroxybenzoic acid?
The IUPAC name of 2,3,5-trifluoro-6-hydroxybenzoic acid (CID 84820872) is 2,3,5-trifluoro-6-hydroxybenzoic acid.
What is the SMILES notation for 2,3,5-trifluoro-6-hydroxybenzoic acid?
The canonical SMILES for 2,3,5-trifluoro-6-hydroxybenzoic acid is O=C(O)c1c(O)c(F)cc(F)c1F.
What is the InChIKey of 2,3,5-trifluoro-6-hydroxybenzoic acid?
The InChIKey is JQMMRIICRFAQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3O3/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,11H,(H,12,13).
What are the key properties of 2,3,5-trifluoro-6-hydroxybenzoic acid?
2,3,5-trifluoro-6-hydroxybenzoic acid has a molecular weight of 192.09 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trifluoro-6-hydroxybenzoic acid is sourced from PubChem (CID 84820872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).