2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde

C13H7BrF2O2 — CID 114065202

IUPAC2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C13H7BrF2O2/c14-10-5-4-8(6-12(10)16)18-13-3-1-2-11(15)9(13)7-17/h1-7H
InChIKeyQOAXDRTZPLHJMJ-UHFFFAOYSA-N
MW313.10 g/mol
LogP4.33
Rot. Bonds3

About 2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde

2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde (PubChem CID 114065202) has the molecular formula C13H7BrF2O2 and a molecular weight of 313.10 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde
PubChem CID114065202
Molecular FormulaC13H7BrF2O2
Molecular Weight313.10 g/mol
Exact Mass311.96
IUPAC Name2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde
SMILESO=Cc1c(F)cccc1Oc1ccc(Br)c(F)c1
InChIInChI=1S/C13H7BrF2O2/c14-10-5-4-8(6-12(10)16)18-13-3-1-2-11(15)9(13)7-17/h1-7H
InChIKeyQOAXDRTZPLHJMJ-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 54.33
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 2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde (CID 114065202) is 2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde is O=Cc1c(F)cccc1Oc1ccc(Br)c(F)c1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde?
The InChIKey is QOAXDRTZPLHJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2O2/c14-10-5-4-8(6-12(10)16)18-13-3-1-2-11(15)9(13)7-17/h1-7H.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde?
2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde has a molecular weight of 313.10 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-6-fluorobenzaldehyde is sourced from PubChem (CID 114065202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).