2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde

C8H6BrFO2 — CID 83895378

IUPAC2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1c(F)ccc(Br)c1O
InChIInChI=1S/C8H6BrFO2/c9-6-1-2-7(10)5(3-4-11)8(6)12/h1-2,4,12H,3H2
InChIKeyJAGNTOYHTNEHKR-UHFFFAOYSA-N
MW233.04 g/mol
LogP2.04
Rot. Bonds2

About 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde

2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde (PubChem CID 83895378) has the molecular formula C8H6BrFO2 and a molecular weight of 233.04 g/mol. Its IUPAC name is 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde
PubChem CID83895378
Molecular FormulaC8H6BrFO2
Molecular Weight233.04 g/mol
Exact Mass231.95
IUPAC Name2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde
SMILESO=CCc1c(F)ccc(Br)c1O
InChIInChI=1S/C8H6BrFO2/c9-6-1-2-7(10)5(3-4-11)8(6)12/h1-2,4,12H,3H2
InChIKeyJAGNTOYHTNEHKR-UHFFFAOYSA-N
XLogP2.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-ethyl-3-fluorophenol
CID 130713861
1-(3-bromo-6-fluoro-2-hydroxyphenyl)propan-2-one
CID 83900120
3-bromo-6-fluorobenzene-1,2-diol
CID 45093034
3-(3-bromo-6-fluoro-2-hydroxyphenyl)propanoic acid
CID 84710938
2-(3-aminopropyl)-6-bromo-3-fluorophenol
CID 83900259
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793424
2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
CID 146451496
2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde
CID 83874123
2-(3-chloro-2,6-difluorophenyl)acetaldehyde
CID 55274754
2-(3-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87309009
2-(6-bromo-3-hydroxy-2-methoxyphenyl)acetaldehyde
CID 71769437
2-(3-bromo-2,6-difluorophenyl)-1-cyclopropylethanone
CID 106265982

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde (CID 83895378) is 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde is O=CCc1c(F)ccc(Br)c1O.
What is the InChIKey of 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde?
The InChIKey is JAGNTOYHTNEHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFO2/c9-6-1-2-7(10)5(3-4-11)8(6)12/h1-2,4,12H,3H2.
What are the key properties of 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde?
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde has a molecular weight of 233.04 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 83895378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).