4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde

C15H8F4O4 — CID 164791131

IUPAC4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1
InChIInChI=1S/C15H8F4O4/c16-14(17)15(18,19)23-13-7-11(5-6-12(13)22-14)21-10-3-1-9(8-20)2-4-10/h1-8H
InChIKeyZHCFLCNBCPAFIE-UHFFFAOYSA-N
MW328.22 g/mol
LogP4.25
Rot. Bonds3

About 4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde

4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde (PubChem CID 164791131) has the molecular formula C15H8F4O4 and a molecular weight of 328.22 g/mol. Its IUPAC name is 4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde.

Molecular Properties

Compound Name4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde
PubChem CID164791131
Molecular FormulaC15H8F4O4
Molecular Weight328.22 g/mol
Exact Mass328.04
IUPAC Name4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde
SMILESO=Cc1ccc(Oc2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1
InChIInChI=1S/C15H8F4O4/c16-14(17)15(18,19)23-13-7-11(5-6-12(13)22-14)21-10-3-1-9(8-20)2-4-10/h1-8H
InChIKeyZHCFLCNBCPAFIE-UHFFFAOYSA-N
XLogP4.25
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde?
The IUPAC name of 4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde (CID 164791131) is 4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde.
What is the SMILES notation for 4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde?
The canonical SMILES for 4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde is O=Cc1ccc(Oc2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1.
What is the InChIKey of 4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde?
The InChIKey is ZHCFLCNBCPAFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4O4/c16-14(17)15(18,19)23-13-7-11(5-6-12(13)22-14)21-10-3-1-9(8-20)2-4-10/h1-8H.
What are the key properties of 4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde?
4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde has a molecular weight of 328.22 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)oxy]benzaldehyde is sourced from PubChem (CID 164791131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).