4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde

C13H7BrF2O2 — CID 114673909

IUPAC4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(Oc2cc(Br)ccc2F)c(F)c1
InChIInChI=1S/C13H7BrF2O2/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-7H
InChIKeyMIFYIPFMRYHLQE-UHFFFAOYSA-N
MW313.10 g/mol
LogP4.33
Rot. Bonds3

About 4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde

4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde (PubChem CID 114673909) has the molecular formula C13H7BrF2O2 and a molecular weight of 313.10 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
PubChem CID114673909
Molecular FormulaC13H7BrF2O2
Molecular Weight313.10 g/mol
Exact Mass311.96
IUPAC Name4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(Oc2cc(Br)ccc2F)c(F)c1
InChIInChI=1S/C13H7BrF2O2/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-7H
InChIKeyMIFYIPFMRYHLQE-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'}

Analyze 4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde
CID 64720224
2-(5-bromo-2-fluorophenoxy)-5-formylbenzonitrile
CID 114063362
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde
CID 114673917
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642
4-bromo-1-(5-bromo-2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 114673155
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 107689523
4-(3-chloro-4-fluorophenoxy)-3-fluorobenzaldehyde
CID 63877969
4-(4-chloro-2,6-dimethylphenoxy)-3-fluorobenzaldehyde
CID 29272244
1-[4-(5-bromo-2-fluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 114674328
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
2-(5-bromo-2-fluorophenoxy)acetaldehyde
CID 114674078

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde?
The IUPAC name of 4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde (CID 114673909) is 4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde is O=Cc1ccc(Oc2cc(Br)ccc2F)c(F)c1.
What is the InChIKey of 4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde?
The InChIKey is MIFYIPFMRYHLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2O2/c14-9-2-3-10(15)13(6-9)18-12-4-1-8(7-17)5-11(12)16/h1-7H.
What are the key properties of 4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde?
4-(5-bromo-2-fluorophenoxy)-3-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 4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 114673909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).