4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde

C20H13F3O3 — CID 139680214

IUPAC4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde
SMILESO=Cc1ccc(Oc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C20H13F3O3/c21-20(22,23)15-6-10-17(11-7-15)26-19-3-1-2-18(12-19)25-16-8-4-14(13-24)5-9-16/h1-13H
InChIKeyXXVUFFZDLHLJRJ-UHFFFAOYSA-N
MW358.32 g/mol
LogP6.10
Rot. Bonds5

About 4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde

4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde (PubChem CID 139680214) has the molecular formula C20H13F3O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is 4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde.

Molecular Properties

Compound Name4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde
PubChem CID139680214
Molecular FormulaC20H13F3O3
Molecular Weight358.32 g/mol
Exact Mass358.08
IUPAC Name4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde
SMILESO=Cc1ccc(Oc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)cc1
InChIInChI=1S/C20H13F3O3/c21-20(22,23)15-6-10-17(11-7-15)26-19-3-1-2-18(12-19)25-16-8-4-14(13-24)5-9-16/h1-13H
InChIKeyXXVUFFZDLHLJRJ-UHFFFAOYSA-N
XLogP6.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]benzaldehyde
CID 156704518
3,5-dimethoxy-4-[4-(trifluoromethyl)phenoxy]benzaldehyde
CID 170440980
3-(4-formylphenoxy)benzonitrile
CID 13238539
4-(4-formylphenoxy)-2-(trifluoromethyl)benzonitrile
CID 51051320
1-phenoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 91805474
2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde
CID 153445299
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
4-[2,6-dinitro-4-(trifluoromethyl)phenoxy]benzaldehyde
CID 2779971
4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]benzaldehyde
CID 129101740
3-(4-bromophenoxy)benzaldehyde
CID 12874363

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde?
The IUPAC name of 4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde (CID 139680214) is 4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde.
What is the SMILES notation for 4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde?
The canonical SMILES for 4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde is O=Cc1ccc(Oc2cccc(Oc3ccc(C(F)(F)F)cc3)c2)cc1.
What is the InChIKey of 4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde?
The InChIKey is XXVUFFZDLHLJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3O3/c21-20(22,23)15-6-10-17(11-7-15)26-19-3-1-2-18(12-19)25-16-8-4-14(13-24)5-9-16/h1-13H.
What are the key properties of 4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde?
4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde has a molecular weight of 358.32 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde is sourced from PubChem (CID 139680214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).