3-(2-bromophenoxy)-5-fluorobenzaldehyde

C13H8BrFO2 — CID 106529469

IUPAC3-(2-bromophenoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(Oc2ccccc2Br)c1
InChIInChI=1S/C13H8BrFO2/c14-12-3-1-2-4-13(12)17-11-6-9(8-16)5-10(15)7-11/h1-8H
InChIKeyWWEGQKNLIFQMFD-UHFFFAOYSA-N
MW295.11 g/mol
LogP4.19
Rot. Bonds3

About 3-(2-bromophenoxy)-5-fluorobenzaldehyde

3-(2-bromophenoxy)-5-fluorobenzaldehyde (PubChem CID 106529469) has the molecular formula C13H8BrFO2 and a molecular weight of 295.11 g/mol. Its IUPAC name is 3-(2-bromophenoxy)-5-fluorobenzaldehyde.

Molecular Properties

Compound Name3-(2-bromophenoxy)-5-fluorobenzaldehyde
PubChem CID106529469
Molecular FormulaC13H8BrFO2
Molecular Weight295.11 g/mol
Exact Mass293.97
IUPAC Name3-(2-bromophenoxy)-5-fluorobenzaldehyde
SMILESO=Cc1cc(F)cc(Oc2ccccc2Br)c1
InChIInChI=1S/C13H8BrFO2/c14-12-3-1-2-4-13(12)17-11-6-9(8-16)5-10(15)7-11/h1-8H
InChIKeyWWEGQKNLIFQMFD-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.11
LogP ≤ 54.19
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-fluoro-5-(2-methylsulfanylphenoxy)benzaldehyde
CID 106529577
1-bromo-2-(4-fluorophenoxy)benzene
CID 18423530
3-(4-bromo-3-methylphenoxy)-5-fluorobenzaldehyde
CID 106529601
3-(4-bromo-2-propan-2-ylphenoxy)-5-fluorobenzaldehyde
CID 106529597
(E)-3-[3-(2-bromo-5-fluorophenoxy)-5-fluorophenyl]prop-2-enoic acid
CID 106531721
2-(2-bromophenoxy)-5-fluoro-1,3-dimethylbenzene
CID 175365323
3-fluoro-5-(3-methyl-2-nitrophenoxy)benzaldehyde
CID 106529559
3-(4,5-difluoro-2-methylphenoxy)-5-fluorobenzaldehyde
CID 114276742
3-(2-chloro-4-methylphenoxy)-5-fluorobenzaldehyde
CID 106529572
3-(4-tert-butyl-2-methylphenoxy)-5-fluorobenzaldehyde
CID 106529538
2-bromo-6-(3,5-difluorophenoxy)benzoic acid
CID 114888676
2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde
CID 81331815

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenoxy)-5-fluorobenzaldehyde?
The IUPAC name of 3-(2-bromophenoxy)-5-fluorobenzaldehyde (CID 106529469) is 3-(2-bromophenoxy)-5-fluorobenzaldehyde.
What is the SMILES notation for 3-(2-bromophenoxy)-5-fluorobenzaldehyde?
The canonical SMILES for 3-(2-bromophenoxy)-5-fluorobenzaldehyde is O=Cc1cc(F)cc(Oc2ccccc2Br)c1.
What is the InChIKey of 3-(2-bromophenoxy)-5-fluorobenzaldehyde?
The InChIKey is WWEGQKNLIFQMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO2/c14-12-3-1-2-4-13(12)17-11-6-9(8-16)5-10(15)7-11/h1-8H.
What are the key properties of 3-(2-bromophenoxy)-5-fluorobenzaldehyde?
3-(2-bromophenoxy)-5-fluorobenzaldehyde has a molecular weight of 295.11 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenoxy)-5-fluorobenzaldehyde is sourced from PubChem (CID 106529469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).