2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde

C8H5Cl2FO2 — CID 83891004

IUPAC2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde
SMILESO=CCc1c(O)c(Cl)cc(F)c1Cl
InChIInChI=1S/C8H5Cl2FO2/c9-5-3-6(11)7(10)4(1-2-12)8(5)13/h2-3,13H,1H2
InChIKeyPFXGMLOXSKRIJT-UHFFFAOYSA-N
MW223.03 g/mol
LogP2.58
Rot. Bonds2

About 2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde

2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde (PubChem CID 83891004) has the molecular formula C8H5Cl2FO2 and a molecular weight of 223.03 g/mol. Its IUPAC name is 2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde
PubChem CID83891004
Molecular FormulaC8H5Cl2FO2
Molecular Weight223.03 g/mol
Exact Mass221.97
IUPAC Name2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde
SMILESO=CCc1c(O)c(Cl)cc(F)c1Cl
InChIInChI=1S/C8H5Cl2FO2/c9-5-3-6(11)7(10)4(1-2-12)8(5)13/h2-3,13H,1H2
InChIKeyPFXGMLOXSKRIJT-UHFFFAOYSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.03
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-2,3-difluoro-6-hydroxyphenyl)propanal
CID 117314985
2-(3-chloro-4-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87309009
2-(4-chloro-2,5-difluorophenyl)acetaldehyde
CID 88923166
2-(6-bromo-3-chloro-2-hydroxyphenyl)acetaldehyde
CID 146451496
2-amino-3,6-dichloro-4-fluorophenol
CID 84666634
2-(3-chloro-2,6-difluorophenyl)acetaldehyde
CID 55274754
2-(2-aminoethyl)-6-chloro-3,4-difluorophenol
CID 83883525
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetaldehyde
CID 83895378
2-(4-chloro-2-fluoro-3-hydroxyphenyl)acetaldehyde
CID 59299255
2-(2,3-difluoro-6-hydroxyphenyl)acetaldehyde
CID 83874123
3-(3-chloro-5-fluoro-2-hydroxy-6-methylphenyl)propanoic acid
CID 84696203
2-(4-aminobutyl)-6-chloro-3,4-difluorophenol
CID 117343886

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde?
The IUPAC name of 2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde (CID 83891004) is 2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde.
What is the SMILES notation for 2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde?
The canonical SMILES for 2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde is O=CCc1c(O)c(Cl)cc(F)c1Cl.
What is the InChIKey of 2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde?
The InChIKey is PFXGMLOXSKRIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2FO2/c9-5-3-6(11)7(10)4(1-2-12)8(5)13/h2-3,13H,1H2.
What are the key properties of 2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde?
2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde has a molecular weight of 223.03 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-3-fluoro-6-hydroxyphenyl)acetaldehyde is sourced from PubChem (CID 83891004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).