4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde

C20H10F4O4 — CID 1380013

IUPAC4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde
SMILESO=Cc1ccc(Oc2c(F)c(F)c(Oc3ccc(C=O)cc3)c(F)c2F)cc1
InChIInChI=1S/C20H10F4O4/c21-15-17(23)20(28-14-7-3-12(10-26)4-8-14)18(24)16(22)19(15)27-13-5-1-11(9-25)2-6-13/h1-10H
InChIKeyOLSSPIZDUNVTIK-UHFFFAOYSA-N
MW390.29 g/mol
LogP5.45
Rot. Bonds6

About 4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde

4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde (PubChem CID 1380013) has the molecular formula C20H10F4O4 and a molecular weight of 390.29 g/mol. Its IUPAC name is 4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde.

Molecular Properties

Compound Name4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde
PubChem CID1380013
Molecular FormulaC20H10F4O4
Molecular Weight390.29 g/mol
Exact Mass390.05
IUPAC Name4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde
SMILESO=Cc1ccc(Oc2c(F)c(F)c(Oc3ccc(C=O)cc3)c(F)c2F)cc1
InChIInChI=1S/C20H10F4O4/c21-15-17(23)20(28-14-7-3-12(10-26)4-8-14)18(24)16(22)19(15)27-13-5-1-11(9-25)2-6-13/h1-10H
InChIKeyOLSSPIZDUNVTIK-UHFFFAOYSA-N
XLogP5.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.29
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,4,6-trifluorophenoxy)benzaldehyde
CID 178142312
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
4-(2,3-difluoro-4-methylphenoxy)benzaldehyde
CID 173255133
3,5-difluoro-4-(4-formylphenoxy)benzamide
CID 59730109
1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
CID 54083625
4-(4-bromophenoxy)-3,5-difluorobenzaldehyde
CID 55146396
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
CID 679714
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
1-(4-bromophenoxy)-2,3,4,5,6-pentafluorobenzene
CID 29052620
4-[(6-chloro-3-pyridinyl)oxy]benzaldehyde
CID 118176488
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459

Frequently Asked Questions

What is the IUPAC name of 4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde?
The IUPAC name of 4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde (CID 1380013) is 4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde.
What is the SMILES notation for 4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde?
The canonical SMILES for 4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde is O=Cc1ccc(Oc2c(F)c(F)c(Oc3ccc(C=O)cc3)c(F)c2F)cc1.
What is the InChIKey of 4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde?
The InChIKey is OLSSPIZDUNVTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F4O4/c21-15-17(23)20(28-14-7-3-12(10-26)4-8-14)18(24)16(22)19(15)27-13-5-1-11(9-25)2-6-13/h1-10H.
What are the key properties of 4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde?
4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde has a molecular weight of 390.29 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde is sourced from PubChem (CID 1380013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).