2,3-dichloro-5-fluoroterephthalaldehyde

C8H3Cl2FO2 — CID 87294892

IUPAC2,3-dichloro-5-fluoroterephthalaldehyde
SMILESO=Cc1cc(F)c(C=O)c(Cl)c1Cl
InChIInChI=1S/C8H3Cl2FO2/c9-7-4(2-12)1-6(11)5(3-13)8(7)10/h1-3H
InChIKeyWDBJOLPGCZGLOK-UHFFFAOYSA-N
MW221.01 g/mol
LogP2.76
Rot. Bonds2

About 2,3-dichloro-5-fluoroterephthalaldehyde

2,3-dichloro-5-fluoroterephthalaldehyde (PubChem CID 87294892) has the molecular formula C8H3Cl2FO2 and a molecular weight of 221.01 g/mol. Its IUPAC name is 2,3-dichloro-5-fluoroterephthalaldehyde.

Molecular Properties

Compound Name2,3-dichloro-5-fluoroterephthalaldehyde
PubChem CID87294892
Molecular FormulaC8H3Cl2FO2
Molecular Weight221.01 g/mol
Exact Mass219.95
IUPAC Name2,3-dichloro-5-fluoroterephthalaldehyde
SMILESO=Cc1cc(F)c(C=O)c(Cl)c1Cl
InChIInChI=1S/C8H3Cl2FO2/c9-7-4(2-12)1-6(11)5(3-13)8(7)10/h1-3H
InChIKeyWDBJOLPGCZGLOK-UHFFFAOYSA-N
XLogP2.76
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.01
LogP ≤ 52.76
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-fluoroterephthalaldehyde?
The IUPAC name of 2,3-dichloro-5-fluoroterephthalaldehyde (CID 87294892) is 2,3-dichloro-5-fluoroterephthalaldehyde.
What is the SMILES notation for 2,3-dichloro-5-fluoroterephthalaldehyde?
The canonical SMILES for 2,3-dichloro-5-fluoroterephthalaldehyde is O=Cc1cc(F)c(C=O)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-5-fluoroterephthalaldehyde?
The InChIKey is WDBJOLPGCZGLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3Cl2FO2/c9-7-4(2-12)1-6(11)5(3-13)8(7)10/h1-3H.
What are the key properties of 2,3-dichloro-5-fluoroterephthalaldehyde?
2,3-dichloro-5-fluoroterephthalaldehyde has a molecular weight of 221.01 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-fluoroterephthalaldehyde is sourced from PubChem (CID 87294892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).