3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde

C14H6F4O3 — CID 142766285

IUPAC3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde
SMILESO=Cc1c(F)ccc(Oc2ccc(F)c(C=O)c2F)c1F
InChIInChI=1S/C14H6F4O3/c15-9-1-3-11(13(17)7(9)5-19)21-12-4-2-10(16)8(6-20)14(12)18/h1-6H
InChIKeyXLQWTOARCKYAFB-UHFFFAOYSA-N
MW298.19 g/mol
LogP3.66
Rot. Bonds4

About 3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde

3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde (PubChem CID 142766285) has the molecular formula C14H6F4O3 and a molecular weight of 298.19 g/mol. Its IUPAC name is 3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde.

Molecular Properties

Compound Name3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde
PubChem CID142766285
Molecular FormulaC14H6F4O3
Molecular Weight298.19 g/mol
Exact Mass298.03
IUPAC Name3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde
SMILESO=Cc1c(F)ccc(Oc2ccc(F)c(C=O)c2F)c1F
InChIInChI=1S/C14H6F4O3/c15-9-1-3-11(13(17)7(9)5-19)21-12-4-2-10(16)8(6-20)14(12)18/h1-6H
InChIKeyXLQWTOARCKYAFB-UHFFFAOYSA-N
XLogP3.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 53.66
H-Bond Donors ≤ 50
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-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde?
The IUPAC name of 3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde (CID 142766285) is 3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde.
What is the SMILES notation for 3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde?
The canonical SMILES for 3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde is O=Cc1c(F)ccc(Oc2ccc(F)c(C=O)c2F)c1F.
What is the InChIKey of 3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde?
The InChIKey is XLQWTOARCKYAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F4O3/c15-9-1-3-11(13(17)7(9)5-19)21-12-4-2-10(16)8(6-20)14(12)18/h1-6H.
What are the key properties of 3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde?
3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde has a molecular weight of 298.19 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-3-formylphenoxy)-2,6-difluorobenzaldehyde is sourced from PubChem (CID 142766285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).