2-(5-bromo-2-fluorophenoxy)acetaldehyde

C8H6BrFO2 — CID 114674078

IUPAC2-(5-bromo-2-fluorophenoxy)acetaldehyde
SMILESO=CCOc1cc(Br)ccc1F
InChIInChI=1S/C8H6BrFO2/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-3,5H,4H2
InChIKeySHNKQPWIPHOBLY-UHFFFAOYSA-N
MW233.04 g/mol
LogP2.17
Rot. Bonds3

About 2-(5-bromo-2-fluorophenoxy)acetaldehyde

2-(5-bromo-2-fluorophenoxy)acetaldehyde (PubChem CID 114674078) has the molecular formula C8H6BrFO2 and a molecular weight of 233.04 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)acetaldehyde.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)acetaldehyde
PubChem CID114674078
Molecular FormulaC8H6BrFO2
Molecular Weight233.04 g/mol
Exact Mass231.95
IUPAC Name2-(5-bromo-2-fluorophenoxy)acetaldehyde
SMILESO=CCOc1cc(Br)ccc1F
InChIInChI=1S/C8H6BrFO2/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-3,5H,4H2
InChIKeySHNKQPWIPHOBLY-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 52.17
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-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693
(5-bromo-2-fluorophenyl) formate;(5-bromo-2-fluorophenyl)methanol
CID 160535121
2-[4-bromo-2-(methylamino)phenoxy]acetaldehyde
CID 177054962
1-(5-bromo-2-fluorophenoxy)-2-methylpropan-2-ol
CID 99716802
4-bromo-2-(ethoxymethoxy)-1-fluorobenzene
CID 114672897
4-bromo-1-fluoro-2-(3-methylsulfonylpropoxy)benzene
CID 115918306
6-(5-bromo-2-fluorophenoxy)pyridine-3-carbaldehyde
CID 114673917
4-bromo-2-(3,3-dimethylbutoxy)-1-fluorobenzene
CID 114672544
4-bromo-2-but-3-ynoxy-1-fluorobenzene
CID 115918428
2-(5-bromo-2-fluorophenoxy)-1-(4-chlorophenyl)ethanone
CID 114674085
4-bromo-2-[(2-bromophenyl)methoxy]-1-fluorobenzene
CID 114672951
4-(5-bromo-2-fluorophenoxy)-3-fluorobenzaldehyde
CID 114673909

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)acetaldehyde?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)acetaldehyde (CID 114674078) is 2-(5-bromo-2-fluorophenoxy)acetaldehyde.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)acetaldehyde?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)acetaldehyde is O=CCOc1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)acetaldehyde?
The InChIKey is SHNKQPWIPHOBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO2/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-3,5H,4H2.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)acetaldehyde?
2-(5-bromo-2-fluorophenoxy)acetaldehyde has a molecular weight of 233.04 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)acetaldehyde is sourced from PubChem (CID 114674078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).