4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde

C11H6BrFO2 — CID 86631640

IUPAC4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde
SMILESO=Cc1cc(Br)c(-c2ccccc2F)o1
InChIInChI=1S/C11H6BrFO2/c12-9-5-7(6-14)15-11(9)8-3-1-2-4-10(8)13/h1-6H
InChIKeyUHNJAJZVEFUIFM-UHFFFAOYSA-N
MW269.07 g/mol
LogP3.66
Rot. Bonds2

About 4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde

4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde (PubChem CID 86631640) has the molecular formula C11H6BrFO2 and a molecular weight of 269.07 g/mol. Its IUPAC name is 4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde
PubChem CID86631640
Molecular FormulaC11H6BrFO2
Molecular Weight269.07 g/mol
Exact Mass267.95
IUPAC Name4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde
SMILESO=Cc1cc(Br)c(-c2ccccc2F)o1
InChIInChI=1S/C11H6BrFO2/c12-9-5-7(6-14)15-11(9)8-3-1-2-4-10(8)13/h1-6H
InChIKeyUHNJAJZVEFUIFM-UHFFFAOYSA-N
XLogP3.66
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-(2-fluorophenyl)furan
CID 175415061
3-(2-fluorophenyl)-1H-pyrazole-5-carbaldehyde
CID 62111677
5-(2-fluorophenyl)benzene-1,3-dicarbaldehyde
CID 167311950
1-bromo-2-[2-(2-fluorophenyl)phenyl]benzene
CID 168811602
5-bromo-4-fluoro-1-benzofuran-2-carbaldehyde
CID 166805161
2-amino-5-(2-fluorophenyl)furan-3,4-diol
CID 123953232
4-(2-fluorophenyl)furan-3-carbaldehyde
CID 82375528
5-[2-(3,4-difluorophenyl)phenyl]furan-2-carbaldehyde
CID 169333066
1-bromo-3-fluoro-2-(2-fluorophenyl)benzene
CID 125457696
5-(2-bromo-3,5-difluorophenyl)furan-2-carbaldehyde
CID 169332004
7-(2,6-difluorophenyl)furo[3,2-c]pyridine-2-carbaldehyde
CID 142717652
2-(3-bromo-2,6-difluorophenyl)benzaldehyde
CID 106943268

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde?
The IUPAC name of 4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde (CID 86631640) is 4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde.
What is the SMILES notation for 4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde?
The canonical SMILES for 4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde is O=Cc1cc(Br)c(-c2ccccc2F)o1.
What is the InChIKey of 4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde?
The InChIKey is UHNJAJZVEFUIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFO2/c12-9-5-7(6-14)15-11(9)8-3-1-2-4-10(8)13/h1-6H.
What are the key properties of 4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde?
4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde has a molecular weight of 269.07 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-fluorophenyl)furan-2-carbaldehyde is sourced from PubChem (CID 86631640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).