2-(4-bromo-2-fluorophenyl)acetaldehyde

C8H6BrFO — CID 28875384

IUPAC2-(4-bromo-2-fluorophenyl)acetaldehyde
SMILESO=CCc1ccc(Br)cc1F
InChIInChI=1S/C8H6BrFO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3H2
InChIKeyTWXNJGUUUBGKBO-UHFFFAOYSA-N
MW217.04 g/mol
LogP2.33
Rot. Bonds2

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

2-(4-bromo-2-fluorophenyl)acetaldehyde (PubChem CID 28875384) has the molecular formula C8H6BrFO and a molecular weight of 217.04 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)acetaldehyde
PubChem CID28875384
Molecular FormulaC8H6BrFO
Molecular Weight217.04 g/mol
Exact Mass215.96
IUPAC Name2-(4-bromo-2-fluorophenyl)acetaldehyde
SMILESO=CCc1ccc(Br)cc1F
InChIInChI=1S/C8H6BrFO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3H2
InChIKeyTWXNJGUUUBGKBO-UHFFFAOYSA-N
XLogP2.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.04
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-fluoro-1-prop-2-enylbenzene
CID 24722089
2-(5-bromo-2,4-difluorophenyl)acetaldehyde
CID 87241512
CID 88874839
CID 88874839
4-bromo-1-(chloromethyl)-2-fluorobenzene;methane
CID 174575273
2-(4-bromo-2-fluorophenyl)acetyl iodide
CID 90435604
2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
N-[(4-bromo-2-fluorophenyl)methyl]ethanamine;ethane
CID 143672674
4-bromo-1-[4-[4-(4-bromo-2-fluorophenyl)butoxy]butyl]-2-fluorobenzene
CID 164578261
1,2-bis(4-bromo-2-fluorophenyl)ethanone
CID 114905955
3-(4-bromo-2-fluorophenyl)-1,1,1-trifluoropropan-2-one
CID 62963334
1-(4-bromo-2-fluorophenyl)-N-methylmethanamine
CID 43090177

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)acetaldehyde?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)acetaldehyde (CID 28875384) is 2-(4-bromo-2-fluorophenyl)acetaldehyde.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)acetaldehyde?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)acetaldehyde is O=CCc1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)acetaldehyde?
The InChIKey is TWXNJGUUUBGKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,4-5H,3H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)acetaldehyde?
2-(4-bromo-2-fluorophenyl)acetaldehyde has a molecular weight of 217.04 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)acetaldehyde is sourced from PubChem (CID 28875384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).