3,5-dichloro-4-fluorobenzaldehyde

C7H3Cl2FO — CID 14118322

IUPAC3,5-dichloro-4-fluorobenzaldehyde
SMILESO=Cc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C7H3Cl2FO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChIKeyHQMAHFRNJCBIGV-UHFFFAOYSA-N
MW193.00 g/mol
LogP2.94
Rot. Bonds1

About 3,5-dichloro-4-fluorobenzaldehyde

3,5-dichloro-4-fluorobenzaldehyde (PubChem CID 14118322) has the molecular formula C7H3Cl2FO and a molecular weight of 193.00 g/mol. Its IUPAC name is 3,5-dichloro-4-fluorobenzaldehyde.

Molecular Properties

Compound Name3,5-dichloro-4-fluorobenzaldehyde
PubChem CID14118322
Molecular FormulaC7H3Cl2FO
Molecular Weight193.00 g/mol
Exact Mass191.95
IUPAC Name3,5-dichloro-4-fluorobenzaldehyde
SMILESO=Cc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C7H3Cl2FO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H
InChIKeyHQMAHFRNJCBIGV-UHFFFAOYSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.00
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-fluorobenzaldehyde?
The IUPAC name of 3,5-dichloro-4-fluorobenzaldehyde (CID 14118322) is 3,5-dichloro-4-fluorobenzaldehyde.
What is the SMILES notation for 3,5-dichloro-4-fluorobenzaldehyde?
The canonical SMILES for 3,5-dichloro-4-fluorobenzaldehyde is O=Cc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-fluorobenzaldehyde?
The InChIKey is HQMAHFRNJCBIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2FO/c8-5-1-4(3-11)2-6(9)7(5)10/h1-3H.
What are the key properties of 3,5-dichloro-4-fluorobenzaldehyde?
3,5-dichloro-4-fluorobenzaldehyde has a molecular weight of 193.00 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-fluorobenzaldehyde is sourced from PubChem (CID 14118322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).