5-bromo-2-fluorobenzene-1,3-dicarbaldehyde

C8H4BrFO2 — CID 74891942

IUPAC5-bromo-2-fluorobenzene-1,3-dicarbaldehyde
SMILESO=Cc1cc(Br)cc(C=O)c1F
InChIInChI=1S/C8H4BrFO2/c9-7-1-5(3-11)8(10)6(2-7)4-12/h1-4H
InChIKeyACDMPZDINUTNGD-UHFFFAOYSA-N
MW231.02 g/mol
LogP2.21
Rot. Bonds2

About 5-bromo-2-fluorobenzene-1,3-dicarbaldehyde

5-bromo-2-fluorobenzene-1,3-dicarbaldehyde (PubChem CID 74891942) has the molecular formula C8H4BrFO2 and a molecular weight of 231.02 g/mol. Its IUPAC name is 5-bromo-2-fluorobenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-bromo-2-fluorobenzene-1,3-dicarbaldehyde
PubChem CID74891942
Molecular FormulaC8H4BrFO2
Molecular Weight231.02 g/mol
Exact Mass229.94
IUPAC Name5-bromo-2-fluorobenzene-1,3-dicarbaldehyde
SMILESO=Cc1cc(Br)cc(C=O)c1F
InChIInChI=1S/C8H4BrFO2/c9-7-1-5(3-11)8(10)6(2-7)4-12/h1-4H
InChIKeyACDMPZDINUTNGD-UHFFFAOYSA-N
XLogP2.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.02
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluorobenzene-1,3-dicarbaldehyde?
The IUPAC name of 5-bromo-2-fluorobenzene-1,3-dicarbaldehyde (CID 74891942) is 5-bromo-2-fluorobenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 5-bromo-2-fluorobenzene-1,3-dicarbaldehyde?
The canonical SMILES for 5-bromo-2-fluorobenzene-1,3-dicarbaldehyde is O=Cc1cc(Br)cc(C=O)c1F.
What is the InChIKey of 5-bromo-2-fluorobenzene-1,3-dicarbaldehyde?
The InChIKey is ACDMPZDINUTNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFO2/c9-7-1-5(3-11)8(10)6(2-7)4-12/h1-4H.
What are the key properties of 5-bromo-2-fluorobenzene-1,3-dicarbaldehyde?
5-bromo-2-fluorobenzene-1,3-dicarbaldehyde has a molecular weight of 231.02 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluorobenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 74891942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).