4-bromo-2-(fluoromethoxy)benzaldehyde

C8H6BrFO2 — CID 87676781

IUPAC4-bromo-2-(fluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1OCF
InChIInChI=1S/C8H6BrFO2/c9-7-2-1-6(4-11)8(3-7)12-5-10/h1-4H,5H2
InChIKeyGJVPQUDNIVXDOX-UHFFFAOYSA-N
MW233.04 g/mol
LogP2.57
Rot. Bonds3

About 4-bromo-2-(fluoromethoxy)benzaldehyde

4-bromo-2-(fluoromethoxy)benzaldehyde (PubChem CID 87676781) has the molecular formula C8H6BrFO2 and a molecular weight of 233.04 g/mol. Its IUPAC name is 4-bromo-2-(fluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(fluoromethoxy)benzaldehyde
PubChem CID87676781
Molecular FormulaC8H6BrFO2
Molecular Weight233.04 g/mol
Exact Mass231.95
IUPAC Name4-bromo-2-(fluoromethoxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1OCF
InChIInChI=1S/C8H6BrFO2/c9-7-2-1-6(4-11)8(3-7)12-5-10/h1-4H,5H2
InChIKeyGJVPQUDNIVXDOX-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
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-2-(2,2-difluoroethoxy)benzaldehyde
CID 82006187
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
4-bromo-2-(1,3-dioxolan-2-ylmethoxy)benzaldehyde
CID 75406688
5-bromo-2-(3-fluoropropoxy)benzaldehyde
CID 81106104
4-bromo-2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 58008259
2-(5-bromo-2-formylphenoxy)propanoic acid
CID 175669416
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
4-bromo-2-(fluoromethoxy)benzoic acid
CID 172802099
4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
CID 43364688
4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
CID 43364723
3-[(5-bromo-2-formylphenoxy)methyl]benzonitrile
CID 164566411
1-[4-bromo-2-(fluoromethoxy)phenyl]propan-1-one
CID 118852695

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(fluoromethoxy)benzaldehyde?
The IUPAC name of 4-bromo-2-(fluoromethoxy)benzaldehyde (CID 87676781) is 4-bromo-2-(fluoromethoxy)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(fluoromethoxy)benzaldehyde?
The canonical SMILES for 4-bromo-2-(fluoromethoxy)benzaldehyde is O=Cc1ccc(Br)cc1OCF.
What is the InChIKey of 4-bromo-2-(fluoromethoxy)benzaldehyde?
The InChIKey is GJVPQUDNIVXDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO2/c9-7-2-1-6(4-11)8(3-7)12-5-10/h1-4H,5H2.
What are the key properties of 4-bromo-2-(fluoromethoxy)benzaldehyde?
4-bromo-2-(fluoromethoxy)benzaldehyde has a molecular weight of 233.04 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(fluoromethoxy)benzaldehyde is sourced from PubChem (CID 87676781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).