2-hydroxy-5-(trifluoromethoxy)benzoyl chloride

C8H4ClF3O3 — CID 134639003

IUPAC2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
SMILESO=C(Cl)c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C8H4ClF3O3/c9-7(14)5-3-4(1-2-6(5)13)15-8(10,11)12/h1-3,13H
InChIKeyXZQBLYRKKQECNH-UHFFFAOYSA-N
MW240.56 g/mol
LogP2.67
Rot. Bonds2

About 2-hydroxy-5-(trifluoromethoxy)benzoyl chloride

2-hydroxy-5-(trifluoromethoxy)benzoyl chloride (PubChem CID 134639003) has the molecular formula C8H4ClF3O3 and a molecular weight of 240.56 g/mol. Its IUPAC name is 2-hydroxy-5-(trifluoromethoxy)benzoyl chloride.

Molecular Properties

Compound Name2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
PubChem CID134639003
Molecular FormulaC8H4ClF3O3
Molecular Weight240.56 g/mol
Exact Mass239.98
IUPAC Name2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
SMILESO=C(Cl)c1cc(OC(F)(F)F)ccc1O
InChIInChI=1S/C8H4ClF3O3/c9-7(14)5-3-4(1-2-6(5)13)15-8(10,11)12/h1-3,13H
InChIKeyXZQBLYRKKQECNH-UHFFFAOYSA-N
XLogP2.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.56
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-(trifluoromethoxy)benzoic acid
CID 2775103
2-chloro-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone
CID 170998248
2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
CID 170997841
2-bromo-1-[2-hydroxy-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134619101
[2-hydroxy-5-(trifluoromethoxy)phenyl]-thiophen-2-ylmethanone
CID 58753930
2-methyl-4-(trifluoromethoxy)benzoyl chloride;thionyl dichloride
CID 159105640
2-chloro-5-(trifluoromethoxy)benzamide
CID 119004987
N,2-dihydroxy-5-[4-(trifluoromethoxy)phenyl]benzamide
CID 118180284
4-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoyl chloride
CID 118845542
2-methyl-5-(trifluoromethoxy)benzoic acid
CID 58839058
2-carboxy-4-(trifluoromethoxy)phenolate
CID 54711457
4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
CID 134639001

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(trifluoromethoxy)benzoyl chloride?
The IUPAC name of 2-hydroxy-5-(trifluoromethoxy)benzoyl chloride (CID 134639003) is 2-hydroxy-5-(trifluoromethoxy)benzoyl chloride.
What is the SMILES notation for 2-hydroxy-5-(trifluoromethoxy)benzoyl chloride?
The canonical SMILES for 2-hydroxy-5-(trifluoromethoxy)benzoyl chloride is O=C(Cl)c1cc(OC(F)(F)F)ccc1O.
What is the InChIKey of 2-hydroxy-5-(trifluoromethoxy)benzoyl chloride?
The InChIKey is XZQBLYRKKQECNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O3/c9-7(14)5-3-4(1-2-6(5)13)15-8(10,11)12/h1-3,13H.
What are the key properties of 2-hydroxy-5-(trifluoromethoxy)benzoyl chloride?
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride has a molecular weight of 240.56 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(trifluoromethoxy)benzoyl chloride is sourced from PubChem (CID 134639003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).