3,5-difluoro-2,4-dihydroxybenzaldehyde

C7H4F2O3 — CID 18942327

IUPAC3,5-difluoro-2,4-dihydroxybenzaldehyde
SMILESO=Cc1cc(F)c(O)c(F)c1O
InChIInChI=1S/C7H4F2O3/c8-4-1-3(2-10)6(11)5(9)7(4)12/h1-2,11-12H
InChIKeyHOGLWUCRFJBQOZ-UHFFFAOYSA-N
MW174.10 g/mol
LogP1.19
Rot. Bonds1

About 3,5-difluoro-2,4-dihydroxybenzaldehyde

3,5-difluoro-2,4-dihydroxybenzaldehyde (PubChem CID 18942327) has the molecular formula C7H4F2O3 and a molecular weight of 174.10 g/mol. Its IUPAC name is 3,5-difluoro-2,4-dihydroxybenzaldehyde.

Molecular Properties

Compound Name3,5-difluoro-2,4-dihydroxybenzaldehyde
PubChem CID18942327
Molecular FormulaC7H4F2O3
Molecular Weight174.10 g/mol
Exact Mass174.01
IUPAC Name3,5-difluoro-2,4-dihydroxybenzaldehyde
SMILESO=Cc1cc(F)c(O)c(F)c1O
InChIInChI=1S/C7H4F2O3/c8-4-1-3(2-10)6(11)5(9)7(4)12/h1-2,11-12H
InChIKeyHOGLWUCRFJBQOZ-UHFFFAOYSA-N
XLogP1.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.10
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2,4-dihydroxybenzaldehyde?
The IUPAC name of 3,5-difluoro-2,4-dihydroxybenzaldehyde (CID 18942327) is 3,5-difluoro-2,4-dihydroxybenzaldehyde.
What is the SMILES notation for 3,5-difluoro-2,4-dihydroxybenzaldehyde?
The canonical SMILES for 3,5-difluoro-2,4-dihydroxybenzaldehyde is O=Cc1cc(F)c(O)c(F)c1O.
What is the InChIKey of 3,5-difluoro-2,4-dihydroxybenzaldehyde?
The InChIKey is HOGLWUCRFJBQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O3/c8-4-1-3(2-10)6(11)5(9)7(4)12/h1-2,11-12H.
What are the key properties of 3,5-difluoro-2,4-dihydroxybenzaldehyde?
3,5-difluoro-2,4-dihydroxybenzaldehyde has a molecular weight of 174.10 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2,4-dihydroxybenzaldehyde is sourced from PubChem (CID 18942327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).