5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride

C8H2BrCl2F3O2 — CID 151998329

IUPAC5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride
SMILESO=C(Cl)c1cc(Br)cc(Cl)c1OC(F)(F)F
InChIInChI=1S/C8H2BrCl2F3O2/c9-3-1-4(7(11)15)6(5(10)2-3)16-8(12,13)14/h1-2H
InChIKeyUGDKSZMTRQUWMP-UHFFFAOYSA-N
MW337.91 g/mol
LogP4.38
Rot. Bonds2

About 5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride

5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride (PubChem CID 151998329) has the molecular formula C8H2BrCl2F3O2 and a molecular weight of 337.91 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride
PubChem CID151998329
Molecular FormulaC8H2BrCl2F3O2
Molecular Weight337.91 g/mol
Exact Mass335.86
IUPAC Name5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride
SMILESO=C(Cl)c1cc(Br)cc(Cl)c1OC(F)(F)F
InChIInChI=1S/C8H2BrCl2F3O2/c9-3-1-4(7(11)15)6(5(10)2-3)16-8(12,13)14/h1-2H
InChIKeyUGDKSZMTRQUWMP-UHFFFAOYSA-N
XLogP4.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.91
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2,3-dichlorobenzoyl chloride
CID 171032872
1-[5-bromo-3-methyl-2-(trifluoromethoxy)phenyl]ethanone
CID 171000615
3,5-dibromo-2-(trifluoromethoxy)benzoic acid
CID 154611943
5-bromo-3-chloro-2-methylbenzoyl chloride
CID 171032785
5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
CID 68757966
1-(trifluoromethoxy)naphthalene-2-carbonyl chloride
CID 166641127
5-bromo-3-methoxy-2-(trifluoromethyl)benzoyl chloride
CID 171003829
5-bromo-3-carbonochloridoyl-2-fluorobenzoic acid
CID 144713812
3-chloro-2-methoxy-5-methylbenzoyl chloride
CID 50882225
4-bromo-2-chloro-5-(trifluoromethoxy)benzoic acid
CID 86682805
5-bromo-3-chloro-2-trimethylsilyloxybenzoic acid
CID 167718232
2-amino-5-bromo-3-(trifluoromethoxy)benzoic acid
CID 131364248

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride (CID 151998329) is 5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride is O=C(Cl)c1cc(Br)cc(Cl)c1OC(F)(F)F.
What is the InChIKey of 5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride?
The InChIKey is UGDKSZMTRQUWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2BrCl2F3O2/c9-3-1-4(7(11)15)6(5(10)2-3)16-8(12,13)14/h1-2H.
What are the key properties of 5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride?
5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride has a molecular weight of 337.91 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(trifluoromethoxy)benzoyl chloride is sourced from PubChem (CID 151998329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).