2-chloro-3-fluoroterephthalaldehyde

C8H4ClFO2 — CID 87294341

IUPAC2-chloro-3-fluoroterephthalaldehyde
SMILESO=Cc1ccc(C=O)c(Cl)c1F
InChIInChI=1S/C8H4ClFO2/c9-7-5(3-11)1-2-6(4-12)8(7)10/h1-4H
InChIKeyYJWKEFNGRGUJKX-UHFFFAOYSA-N
MW186.57 g/mol
LogP2.10
Rot. Bonds2

About 2-chloro-3-fluoroterephthalaldehyde

2-chloro-3-fluoroterephthalaldehyde (PubChem CID 87294341) has the molecular formula C8H4ClFO2 and a molecular weight of 186.57 g/mol. Its IUPAC name is 2-chloro-3-fluoroterephthalaldehyde.

Molecular Properties

Compound Name2-chloro-3-fluoroterephthalaldehyde
PubChem CID87294341
Molecular FormulaC8H4ClFO2
Molecular Weight186.57 g/mol
Exact Mass185.99
IUPAC Name2-chloro-3-fluoroterephthalaldehyde
SMILESO=Cc1ccc(C=O)c(Cl)c1F
InChIInChI=1S/C8H4ClFO2/c9-7-5(3-11)1-2-6(4-12)8(7)10/h1-4H
InChIKeyYJWKEFNGRGUJKX-UHFFFAOYSA-N
XLogP2.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.57
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Chlorobenzaldehyde
CID 6996
2,6-Dichlorobenzaldehyde
CID 6737
3-Chlorobenzaldehyde
CID 11477
2,3-Dichlorobenzaldehyde
CID 35745
2-Chloro-6-fluorobenzaldehyde
CID 67847
2-Chloro-4-fluorobenzaldehyde
CID 145024
4-Chloro-2-fluorobenzaldehyde
CID 2724908
3-Chloro-4-formylphenylboronic acid
CID 42614540
2,5-Dichlorobenzaldehyde
CID 80702
3-Chloro-4-fluorobenzaldehyde
CID 593866
2-Chloro-5-(trifluoromethyl)benzaldehyde
CID 688181
3-Chloro-2-fluorobenzaldehyde
CID 736335

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoroterephthalaldehyde?
The IUPAC name of 2-chloro-3-fluoroterephthalaldehyde (CID 87294341) is 2-chloro-3-fluoroterephthalaldehyde.
What is the SMILES notation for 2-chloro-3-fluoroterephthalaldehyde?
The canonical SMILES for 2-chloro-3-fluoroterephthalaldehyde is O=Cc1ccc(C=O)c(Cl)c1F.
What is the InChIKey of 2-chloro-3-fluoroterephthalaldehyde?
The InChIKey is YJWKEFNGRGUJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFO2/c9-7-5(3-11)1-2-6(4-12)8(7)10/h1-4H.
What are the key properties of 2-chloro-3-fluoroterephthalaldehyde?
2-chloro-3-fluoroterephthalaldehyde has a molecular weight of 186.57 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoroterephthalaldehyde is sourced from PubChem (CID 87294341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).