4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde

C13H7Br2FO2 — CID 64720224

IUPAC4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(Oc2ccc(Br)cc2Br)c(F)c1
InChIInChI=1S/C13H7Br2FO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-17)5-11(13)16/h1-7H
InChIKeyNVFHJBJGXDDTFG-UHFFFAOYSA-N
MW374.00 g/mol
LogP4.96
Rot. Bonds3

About 4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde

4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde (PubChem CID 64720224) has the molecular formula C13H7Br2FO2 and a molecular weight of 374.00 g/mol. Its IUPAC name is 4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde
PubChem CID64720224
Molecular FormulaC13H7Br2FO2
Molecular Weight374.00 g/mol
Exact Mass371.88
IUPAC Name4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde
SMILESO=Cc1ccc(Oc2ccc(Br)cc2Br)c(F)c1
InChIInChI=1S/C13H7Br2FO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-17)5-11(13)16/h1-7H
InChIKeyNVFHJBJGXDDTFG-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.00
LogP ≤ 54.96
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

4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
CID 114673909
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
4-(2-bromo-4-chlorophenoxy)-3,5-difluorobenzaldehyde
CID 63050225
[4-(2,4-dibromophenoxy)-3-fluorophenyl]methanol
CID 64720660
2-(5-bromo-2-fluorophenoxy)-5-formylbenzonitrile
CID 114063362
4-(4-bromophenoxy)-3,5-difluorobenzaldehyde
CID 55146396
1-[4-(2,4-dibromophenoxy)-3-fluorophenyl]ethanamine
CID 64719989
4-[(5-bromo-2-pyridinyl)methoxy]-3-fluorobenzaldehyde
CID 107689523
1,4-dibromo-2-(2,4-dibromophenoxy)benzene
CID 15509892
2-fluoro-6-(2-fluoro-4-formylphenoxy)benzonitrile
CID 43609110
2-(2,4-dibromophenoxy)-6-fluorobenzoic acid
CID 79511667
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde?
The IUPAC name of 4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde (CID 64720224) is 4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde.
What is the SMILES notation for 4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde?
The canonical SMILES for 4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde is O=Cc1ccc(Oc2ccc(Br)cc2Br)c(F)c1.
What is the InChIKey of 4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde?
The InChIKey is NVFHJBJGXDDTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2FO2/c14-9-2-4-12(10(15)6-9)18-13-3-1-8(7-17)5-11(13)16/h1-7H.
What are the key properties of 4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde?
4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde has a molecular weight of 374.00 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dibromophenoxy)-3-fluorobenzaldehyde is sourced from PubChem (CID 64720224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).