2-bromo-2-(3-fluorophenyl)acetaldehyde

C8H6BrFO — CID 87073692

IUPAC2-bromo-2-(3-fluorophenyl)acetaldehyde
SMILESO=CC(Br)c1cccc(F)c1
InChIInChI=1S/C8H6BrFO/c9-8(5-11)6-2-1-3-7(10)4-6/h1-5,8H
InChIKeyWUZKWLQJNAQJQP-UHFFFAOYSA-N
MW217.04 g/mol
LogP2.46
Rot. Bonds2

About 2-bromo-2-(3-fluorophenyl)acetaldehyde

2-bromo-2-(3-fluorophenyl)acetaldehyde (PubChem CID 87073692) has the molecular formula C8H6BrFO and a molecular weight of 217.04 g/mol. Its IUPAC name is 2-bromo-2-(3-fluorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-bromo-2-(3-fluorophenyl)acetaldehyde
PubChem CID87073692
Molecular FormulaC8H6BrFO
Molecular Weight217.04 g/mol
Exact Mass215.96
IUPAC Name2-bromo-2-(3-fluorophenyl)acetaldehyde
SMILESO=CC(Br)c1cccc(F)c1
InChIInChI=1S/C8H6BrFO/c9-8(5-11)6-2-1-3-7(10)4-6/h1-5,8H
InChIKeyWUZKWLQJNAQJQP-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1-bromo-2-oxoethyl)benzaldehyde
CID 174741180
2-(3-fluorophenyl)propanal
CID 20610109
1-(1-bromopropyl)-3-fluorobenzene
CID 70101936
5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61096909
acetaldehyde;1,3-difluorobenzene
CID 160854263
1,3-difluorobenzene;formic acid
CID 158586074
[bromo-(3-fluorophenyl)methyl] acetate
CID 174595381
N-[(1S)-1-(3-fluorophenyl)-2-hydroxyethyl]formamide
CID 142183569
2-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)acetaldehyde
CID 90002770
2-(3,5-difluorophenyl)-2-phenylacetaldehyde
CID 87253871
1-(1,5-dibromopentan-3-yl)-3-fluorobenzene
CID 139789232
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(3-fluorophenyl)acetaldehyde?
The IUPAC name of 2-bromo-2-(3-fluorophenyl)acetaldehyde (CID 87073692) is 2-bromo-2-(3-fluorophenyl)acetaldehyde.
What is the SMILES notation for 2-bromo-2-(3-fluorophenyl)acetaldehyde?
The canonical SMILES for 2-bromo-2-(3-fluorophenyl)acetaldehyde is O=CC(Br)c1cccc(F)c1.
What is the InChIKey of 2-bromo-2-(3-fluorophenyl)acetaldehyde?
The InChIKey is WUZKWLQJNAQJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO/c9-8(5-11)6-2-1-3-7(10)4-6/h1-5,8H.
What are the key properties of 2-bromo-2-(3-fluorophenyl)acetaldehyde?
2-bromo-2-(3-fluorophenyl)acetaldehyde has a molecular weight of 217.04 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(3-fluorophenyl)acetaldehyde is sourced from PubChem (CID 87073692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).