3,5-difluoro-2-hydroxybenzaldehyde

C7H4F2O2 — CID 2779374

IUPAC3,5-difluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(F)cc(F)c1O
InChIInChI=1S/C7H4F2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKeyQGSAZWCEHUYVMW-UHFFFAOYSA-N
MW158.10 g/mol
LogP1.48
Rot. Bonds1

About 3,5-difluoro-2-hydroxybenzaldehyde

3,5-difluoro-2-hydroxybenzaldehyde (PubChem CID 2779374) has the molecular formula C7H4F2O2 and a molecular weight of 158.10 g/mol. Its IUPAC name is 3,5-difluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-2-hydroxybenzaldehyde
PubChem CID2779374
Molecular FormulaC7H4F2O2
Molecular Weight158.10 g/mol
Exact Mass158.02
IUPAC Name3,5-difluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(F)cc(F)c1O
InChIInChI=1S/C7H4F2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKeyQGSAZWCEHUYVMW-UHFFFAOYSA-N
XLogP1.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.10
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5-difluoro-2-hydroxybenzaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-hydroxybenzaldehyde?
The IUPAC name of 3,5-difluoro-2-hydroxybenzaldehyde (CID 2779374) is 3,5-difluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 3,5-difluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 3,5-difluoro-2-hydroxybenzaldehyde is O=Cc1cc(F)cc(F)c1O.
What is the InChIKey of 3,5-difluoro-2-hydroxybenzaldehyde?
The InChIKey is QGSAZWCEHUYVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H.
What are the key properties of 3,5-difluoro-2-hydroxybenzaldehyde?
3,5-difluoro-2-hydroxybenzaldehyde has a molecular weight of 158.10 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 2779374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).