4,6-difluorobenzene-1,3-dicarbaldehyde

C8H4F2O2 — CID 11030259

IUPAC4,6-difluorobenzene-1,3-dicarbaldehyde
SMILESO=Cc1cc(C=O)c(F)cc1F
InChIInChI=1S/C8H4F2O2/c9-7-2-8(10)6(4-12)1-5(7)3-11/h1-4H
InChIKeyDGCKGEFEFSBZCR-UHFFFAOYSA-N
MW170.11 g/mol
LogP1.59
Rot. Bonds2

About 4,6-difluorobenzene-1,3-dicarbaldehyde

4,6-difluorobenzene-1,3-dicarbaldehyde (PubChem CID 11030259) has the molecular formula C8H4F2O2 and a molecular weight of 170.11 g/mol. Its IUPAC name is 4,6-difluorobenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name4,6-difluorobenzene-1,3-dicarbaldehyde
PubChem CID11030259
Molecular FormulaC8H4F2O2
Molecular Weight170.11 g/mol
Exact Mass170.02
IUPAC Name4,6-difluorobenzene-1,3-dicarbaldehyde
SMILESO=Cc1cc(C=O)c(F)cc1F
InChIInChI=1S/C8H4F2O2/c9-7-2-8(10)6(4-12)1-5(7)3-11/h1-4H
InChIKeyDGCKGEFEFSBZCR-UHFFFAOYSA-N
XLogP1.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 51.59
H-Bond Donors ≤ 50
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 4,6-difluorobenzene-1,3-dicarbaldehyde?
The IUPAC name of 4,6-difluorobenzene-1,3-dicarbaldehyde (CID 11030259) is 4,6-difluorobenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 4,6-difluorobenzene-1,3-dicarbaldehyde?
The canonical SMILES for 4,6-difluorobenzene-1,3-dicarbaldehyde is O=Cc1cc(C=O)c(F)cc1F.
What is the InChIKey of 4,6-difluorobenzene-1,3-dicarbaldehyde?
The InChIKey is DGCKGEFEFSBZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2O2/c9-7-2-8(10)6(4-12)1-5(7)3-11/h1-4H.
What are the key properties of 4,6-difluorobenzene-1,3-dicarbaldehyde?
4,6-difluorobenzene-1,3-dicarbaldehyde has a molecular weight of 170.11 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluorobenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 11030259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).