2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde

C9H8BrFO2 — CID 131026663

IUPAC2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde
SMILESCOC(C=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H8BrFO2/c1-13-9(5-12)7-3-2-6(11)4-8(7)10/h2-5,9H,1H3
InChIKeyUOSKDXLCVWKHSX-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.47
Rot. Bonds3

About 2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde

2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde (PubChem CID 131026663) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde
PubChem CID131026663
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde
SMILESCOC(C=O)c1ccc(F)cc1Br
InChIInChI=1S/C9H8BrFO2/c1-13-9(5-12)7-3-2-6(11)4-8(7)10/h2-5,9H,1H3
InChIKeyUOSKDXLCVWKHSX-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.47
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

2-(4-fluorophenyl)-2-methoxyacetaldehyde
CID 83827030
3-(2-bromo-4-fluorophenyl)butanal
CID 117364023
methyl (2R)-2-(2-bromo-4-fluorophenyl)-3-oxobutanoate
CID 125474738
(2-bromo-4,5-dimethoxyphenyl)-(2-bromo-4-fluorophenyl)methanamine
CID 43118265
(1R)-1-(2-bromo-4-fluorophenyl)-2-methylpropan-1-ol
CID 130739633
1-(2-bromo-4-fluorophenyl)but-2-yn-1-ol
CID 130515808
(2-bromo-4-fluorophenyl)-(2,6-dimethoxyphenyl)methanol
CID 115838561
1-(2-bromo-4-fluorophenyl)-3-methylbut-2-en-1-amine
CID 105004892
1-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 115793404
N-[1-(2-bromo-4-fluorophenyl)ethyl]-1-methoxypropan-2-amine
CID 115704341
methyl 2-(2-bromo-4-fluorophenyl)-5-chloropentanoate
CID 67067425
2-(3-bromophenyl)-2-methoxyacetaldehyde
CID 83840143

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde (CID 131026663) is 2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde is COC(C=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde?
The InChIKey is UOSKDXLCVWKHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c1-13-9(5-12)7-3-2-6(11)4-8(7)10/h2-5,9H,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde?
2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde has a molecular weight of 247.06 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-2-methoxyacetaldehyde is sourced from PubChem (CID 131026663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).