2,4-difluoro-3-hydroxybenzaldehyde

C7H4F2O2 — CID 593909

IUPAC2,4-difluoro-3-hydroxybenzaldehyde
SMILESO=Cc1ccc(F)c(O)c1F
InChIInChI=1S/C7H4F2O2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-3,11H
InChIKeyNDEDPHKYSOYQOY-UHFFFAOYSA-N
MW158.10 g/mol
LogP1.48
Rot. Bonds1

About 2,4-difluoro-3-hydroxybenzaldehyde

2,4-difluoro-3-hydroxybenzaldehyde (PubChem CID 593909) has the molecular formula C7H4F2O2 and a molecular weight of 158.10 g/mol. Its IUPAC name is 2,4-difluoro-3-hydroxybenzaldehyde.

Molecular Properties

Compound Name2,4-difluoro-3-hydroxybenzaldehyde
PubChem CID593909
Molecular FormulaC7H4F2O2
Molecular Weight158.10 g/mol
Exact Mass158.02
IUPAC Name2,4-difluoro-3-hydroxybenzaldehyde
SMILESO=Cc1ccc(F)c(O)c1F
InChIInChI=1S/C7H4F2O2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-3,11H
InChIKeyNDEDPHKYSOYQOY-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-hydroxybenzaldehyde?
The IUPAC name of 2,4-difluoro-3-hydroxybenzaldehyde (CID 593909) is 2,4-difluoro-3-hydroxybenzaldehyde.
What is the SMILES notation for 2,4-difluoro-3-hydroxybenzaldehyde?
The canonical SMILES for 2,4-difluoro-3-hydroxybenzaldehyde is O=Cc1ccc(F)c(O)c1F.
What is the InChIKey of 2,4-difluoro-3-hydroxybenzaldehyde?
The InChIKey is NDEDPHKYSOYQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2O2/c8-5-2-1-4(3-10)6(9)7(5)11/h1-3,11H.
What are the key properties of 2,4-difluoro-3-hydroxybenzaldehyde?
2,4-difluoro-3-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 2,4-difluoro-3-hydroxybenzaldehyde is sourced from PubChem (CID 593909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).