3,4-difluorobenzaldehyde

C7H4F2O — CID 588088

IUPAC3,4-difluorobenzaldehyde
SMILESO=Cc1ccc(F)c(F)c1
InChIInChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKeyJPHKMYXKNKLNDF-UHFFFAOYSA-N
MW142.10 g/mol
LogP1.78
Rot. Bonds1

About 3,4-difluorobenzaldehyde

3,4-difluorobenzaldehyde (PubChem CID 588088) has the molecular formula C7H4F2O and a molecular weight of 142.10 g/mol. Its IUPAC name is 3,4-difluorobenzaldehyde.

Molecular Properties

Compound Name3,4-difluorobenzaldehyde
PubChem CID588088
Molecular FormulaC7H4F2O
Molecular Weight142.10 g/mol
Exact Mass142.02
IUPAC Name3,4-difluorobenzaldehyde
SMILESO=Cc1ccc(F)c(F)c1
InChIInChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H
InChIKeyJPHKMYXKNKLNDF-UHFFFAOYSA-N
XLogP1.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.10
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,4-difluorobenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzaldehyde
CID 240
Phthalaldehyde
CID 4807
4-Methylbenzaldehyde
CID 7725
2-Methylbenzaldehyde
CID 10722
2-Benzylideneheptanal
CID 1712058
4-Ethylbenzaldehyde
CID 20861
alpha-Amylcinnamaldehyde, (E)-
CID 1623625
3-Methylbenzaldehyde
CID 12105
Phenylglyoxal
CID 14090
Amylcinnamaldehyde
CID 31209
2,2,2-Trifluoroacetophenone
CID 9905
4-Fluorobenzaldehyde
CID 68023

Frequently Asked Questions

What is the IUPAC name of 3,4-difluorobenzaldehyde?
The IUPAC name of 3,4-difluorobenzaldehyde (CID 588088) is 3,4-difluorobenzaldehyde.
What is the SMILES notation for 3,4-difluorobenzaldehyde?
The canonical SMILES for 3,4-difluorobenzaldehyde is O=Cc1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluorobenzaldehyde?
The InChIKey is JPHKMYXKNKLNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4H.
What are the key properties of 3,4-difluorobenzaldehyde?
3,4-difluorobenzaldehyde has a molecular weight of 142.10 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluorobenzaldehyde is sourced from PubChem (CID 588088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).