5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde

C12H6BrF3O3 — CID 169334326

IUPAC5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(OC(F)(F)F)c2Br)o1
InChIInChI=1S/C12H6BrF3O3/c13-11-8(9-5-4-7(6-17)18-9)2-1-3-10(11)19-12(14,15)16/h1-6H
InChIKeyAREQGWQJRJAZEP-UHFFFAOYSA-N
MW335.08 g/mol
LogP4.42
Rot. Bonds3

About 5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde

5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde (PubChem CID 169334326) has the molecular formula C12H6BrF3O3 and a molecular weight of 335.08 g/mol. Its IUPAC name is 5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
PubChem CID169334326
Molecular FormulaC12H6BrF3O3
Molecular Weight335.08 g/mol
Exact Mass333.95
IUPAC Name5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2cccc(OC(F)(F)F)c2Br)o1
InChIInChI=1S/C12H6BrF3O3/c13-11-8(9-5-4-7(6-17)18-9)2-1-3-10(11)19-12(14,15)16/h1-6H
InChIKeyAREQGWQJRJAZEP-UHFFFAOYSA-N
XLogP4.42
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.08
LogP ≤ 54.42
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-[4-bromo-2-chloro-6-(trifluoromethoxy)phenyl]furan-2-carbaldehyde
CID 169332018
5-[3-chloro-2-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 22562092
5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
CID 169332004
2-(4-methylphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993981
2-(2-methoxyphenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993966
2-(2-chlorophenyl)-6-(trifluoromethoxy)benzaldehyde
CID 172993965
5-[2-(2,2-dimethylpropoxy)-3-fluorophenyl]furan-2-carbaldehyde
CID 169334993
(E)-1-piperidin-1-yl-3-[5-[2-(trifluoromethoxy)phenyl]furan-2-yl]prop-2-en-1-one
CID 59149603
5-(2-butan-2-yloxyphenyl)furan-2-carbaldehyde
CID 169332268
5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 169332736
5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde
CID 169333519

Frequently Asked Questions

What is the IUPAC name of 5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde (CID 169334326) is 5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2cccc(OC(F)(F)F)c2Br)o1.
What is the InChIKey of 5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde?
The InChIKey is AREQGWQJRJAZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3O3/c13-11-8(9-5-4-7(6-17)18-9)2-1-3-10(11)19-12(14,15)16/h1-6H.
What are the key properties of 5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde?
5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde has a molecular weight of 335.08 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bromo-3-(trifluoromethoxy)phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).