2,3,4,5-tetrafluorobenzaldehyde

C7H2F4O — CID 2734023

IUPAC2,3,4,5-tetrafluorobenzaldehyde
SMILESO=Cc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F4O/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1-2H
InChIKeyUPJHEKIKCNDMEX-UHFFFAOYSA-N
MW178.08 g/mol
LogP2.06
Rot. Bonds1

About 2,3,4,5-tetrafluorobenzaldehyde

2,3,4,5-tetrafluorobenzaldehyde (PubChem CID 2734023) has the molecular formula C7H2F4O and a molecular weight of 178.08 g/mol. Its IUPAC name is 2,3,4,5-tetrafluorobenzaldehyde.

Molecular Properties

Compound Name2,3,4,5-tetrafluorobenzaldehyde
PubChem CID2734023
Molecular FormulaC7H2F4O
Molecular Weight178.08 g/mol
Exact Mass178.00
IUPAC Name2,3,4,5-tetrafluorobenzaldehyde
SMILESO=Cc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C7H2F4O/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1-2H
InChIKeyUPJHEKIKCNDMEX-UHFFFAOYSA-N
XLogP2.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.08
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluorobenzaldehyde?
The IUPAC name of 2,3,4,5-tetrafluorobenzaldehyde (CID 2734023) is 2,3,4,5-tetrafluorobenzaldehyde.
What is the SMILES notation for 2,3,4,5-tetrafluorobenzaldehyde?
The canonical SMILES for 2,3,4,5-tetrafluorobenzaldehyde is O=Cc1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluorobenzaldehyde?
The InChIKey is UPJHEKIKCNDMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F4O/c8-4-1-3(2-12)5(9)7(11)6(4)10/h1-2H.
What are the key properties of 2,3,4,5-tetrafluorobenzaldehyde?
2,3,4,5-tetrafluorobenzaldehyde has a molecular weight of 178.08 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluorobenzaldehyde is sourced from PubChem (CID 2734023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).