4-hydroxy-2-(trifluoromethoxy)benzoyl chloride

C8H4ClF3O3 — CID 134639001

IUPAC4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(O)cc1OC(F)(F)F
InChIInChI=1S/C8H4ClF3O3/c9-7(14)5-2-1-4(13)3-6(5)15-8(10,11)12/h1-3,13H
InChIKeyUNGBLAUWTUVKDW-UHFFFAOYSA-N
MW240.56 g/mol
LogP2.67
Rot. Bonds2

About 4-hydroxy-2-(trifluoromethoxy)benzoyl chloride

4-hydroxy-2-(trifluoromethoxy)benzoyl chloride (PubChem CID 134639001) has the molecular formula C8H4ClF3O3 and a molecular weight of 240.56 g/mol. Its IUPAC name is 4-hydroxy-2-(trifluoromethoxy)benzoyl chloride.

Molecular Properties

Compound Name4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
PubChem CID134639001
Molecular FormulaC8H4ClF3O3
Molecular Weight240.56 g/mol
Exact Mass239.98
IUPAC Name4-hydroxy-2-(trifluoromethoxy)benzoyl chloride
SMILESO=C(Cl)c1ccc(O)cc1OC(F)(F)F
InChIInChI=1S/C8H4ClF3O3/c9-7(14)5-2-1-4(13)3-6(5)15-8(10,11)12/h1-3,13H
InChIKeyUNGBLAUWTUVKDW-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

1-[4-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
CID 167069993
2-chloro-1-[4-hydroxy-2-(trifluoromethoxy)phenyl]propan-1-one
CID 134619731
4-[4-hydroxy-2-(trifluoromethoxy)phenyl]-3-(trifluoromethoxy)phenol
CID 139790493
3-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 130088891
4-methoxy-3-(trifluoromethoxy)phenol
CID 67275723
2-hydroxy-5-(trifluoromethoxy)benzoyl chloride
CID 134639003
2-bromo-1-[5-hydroxy-2-(trifluoromethoxy)phenyl]ethanone
CID 170998245
ethane;3-methoxy-4-(trifluoromethoxy)phenol
CID 142516973
5-(dimethylamino)-2-(trifluoromethoxy)benzoyl chloride
CID 134630024
2,4-bis(2-chloro-1,1,2-trifluoroethoxy)benzoyl chloride
CID 20530643
(4-carbonochloridoyl-3-hydroxyphenyl) carbonochloridate
CID 21396971
4-hydroxy-2-methylbenzoyl chloride
CID 103689413

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(trifluoromethoxy)benzoyl chloride?
The IUPAC name of 4-hydroxy-2-(trifluoromethoxy)benzoyl chloride (CID 134639001) is 4-hydroxy-2-(trifluoromethoxy)benzoyl chloride.
What is the SMILES notation for 4-hydroxy-2-(trifluoromethoxy)benzoyl chloride?
The canonical SMILES for 4-hydroxy-2-(trifluoromethoxy)benzoyl chloride is O=C(Cl)c1ccc(O)cc1OC(F)(F)F.
What is the InChIKey of 4-hydroxy-2-(trifluoromethoxy)benzoyl chloride?
The InChIKey is UNGBLAUWTUVKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3O3/c9-7(14)5-2-1-4(13)3-6(5)15-8(10,11)12/h1-3,13H.
What are the key properties of 4-hydroxy-2-(trifluoromethoxy)benzoyl chloride?
4-hydroxy-2-(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 4-hydroxy-2-(trifluoromethoxy)benzoyl chloride is sourced from PubChem (CID 134639001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).