5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde

C12H5BrClF3O3 — CID 169332018

IUPAC5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2c(Cl)cc(Br)cc2OC(F)(F)F)o1
InChIInChI=1S/C12H5BrClF3O3/c13-6-3-8(14)11(9-2-1-7(5-18)19-9)10(4-6)20-12(15,16)17/h1-5H
InChIKeyWGZAZQDEWMZOJS-UHFFFAOYSA-N
MW369.52 g/mol
LogP5.07
Rot. Bonds3

About 5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde

5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169332018) has the molecular formula C12H5BrClF3O3 and a molecular weight of 369.52 g/mol. Its IUPAC name is 5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
PubChem CID169332018
Molecular FormulaC12H5BrClF3O3
Molecular Weight369.52 g/mol
Exact Mass367.91
IUPAC Name5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2c(Cl)cc(Br)cc2OC(F)(F)F)o1
InChIInChI=1S/C12H5BrClF3O3/c13-6-3-8(14)11(9-2-1-7(5-18)19-9)10(4-6)20-12(15,16)17/h1-5H
InChIKeyWGZAZQDEWMZOJS-UHFFFAOYSA-N
XLogP5.07
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.52
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[5-bromo-2-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169336035
5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169334326
5-(4-bromo-2,6-diiodophenyl)furan-2-carbaldehyde
CID 169333081
5-(2-bromo-4-chloro-6-fluorophenyl)furan-2-carbaldehyde
CID 169331721
5-(2,4-dibromo-6-formylphenyl)furan-2-carbaldehyde
CID 169335894
5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde
CID 169333559
4-bromo-3-chloro-5-(trifluoromethoxy)benzaldehyde
CID 134568072
3-chloro-4-(5-formylfuran-2-yl)-5-iodobenzonitrile
CID 169332724
5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
CID 68757966
5-(2,6-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 43155821
5-bromo-1-chloro-2-isocyanato-3-(trifluoromethoxy)benzene
CID 169352238
5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 22562092

Frequently Asked Questions

What is the IUPAC name of 5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde (CID 169332018) is 5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2c(Cl)cc(Br)cc2OC(F)(F)F)o1.
What is the InChIKey of 5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is WGZAZQDEWMZOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5BrClF3O3/c13-6-3-8(14)11(9-2-1-7(5-18)19-9)10(4-6)20-12(15,16)17/h1-5H.
What are the key properties of 5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde?
5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 369.52 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169332018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).