4-(2,4,6-trifluorophenoxy)benzaldehyde

C13H7F3O2 — CID 178142312

IUPAC4-(2,4,6-trifluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C13H7F3O2/c14-9-5-11(15)13(12(16)6-9)18-10-3-1-8(7-17)2-4-10/h1-7H
InChIKeyVFQAROJIZNBMHD-UHFFFAOYSA-N
MW252.19 g/mol
LogP3.71
Rot. Bonds3

About 4-(2,4,6-trifluorophenoxy)benzaldehyde

4-(2,4,6-trifluorophenoxy)benzaldehyde (PubChem CID 178142312) has the molecular formula C13H7F3O2 and a molecular weight of 252.19 g/mol. Its IUPAC name is 4-(2,4,6-trifluorophenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(2,4,6-trifluorophenoxy)benzaldehyde
PubChem CID178142312
Molecular FormulaC13H7F3O2
Molecular Weight252.19 g/mol
Exact Mass252.04
IUPAC Name4-(2,4,6-trifluorophenoxy)benzaldehyde
SMILESO=Cc1ccc(Oc2c(F)cc(F)cc2F)cc1
InChIInChI=1S/C13H7F3O2/c14-9-5-11(15)13(12(16)6-9)18-10-3-1-8(7-17)2-4-10/h1-7H
InChIKeyVFQAROJIZNBMHD-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-(4-formylphenoxy)benzamide
CID 59730109
4-[2,3,5,6-tetrafluoro-4-(4-formylphenoxy)phenoxy]benzaldehyde
CID 1380013
4-(4-bromophenoxy)-3,5-difluorobenzaldehyde
CID 55146396
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
5,7-difluoronaphthalene-2-carbaldehyde
CID 10845407
4-(3-chloro-4-fluorophenoxy)benzaldehyde
CID 63877798
4-(2,4,6-trifluorophenyl)benzaldehyde
CID 54910403
4-(4-bromo-2-fluorophenoxy)benzaldehyde
CID 15143249
1,3,5-trifluoro-2-[4-(2-methylpropyl)phenoxy]benzene
CID 178142552
3-fluoro-4-(4-formylphenoxy)benzamide
CID 57352536
4-fluoro-3-(4-phenoxyphenoxy)benzaldehyde
CID 13368776
4-(3,5-difluorophenyl)benzaldehyde
CID 11367947

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trifluorophenoxy)benzaldehyde?
The IUPAC name of 4-(2,4,6-trifluorophenoxy)benzaldehyde (CID 178142312) is 4-(2,4,6-trifluorophenoxy)benzaldehyde.
What is the SMILES notation for 4-(2,4,6-trifluorophenoxy)benzaldehyde?
The canonical SMILES for 4-(2,4,6-trifluorophenoxy)benzaldehyde is O=Cc1ccc(Oc2c(F)cc(F)cc2F)cc1.
What is the InChIKey of 4-(2,4,6-trifluorophenoxy)benzaldehyde?
The InChIKey is VFQAROJIZNBMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3O2/c14-9-5-11(15)13(12(16)6-9)18-10-3-1-8(7-17)2-4-10/h1-7H.
What are the key properties of 4-(2,4,6-trifluorophenoxy)benzaldehyde?
4-(2,4,6-trifluorophenoxy)benzaldehyde has a molecular weight of 252.19 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trifluorophenoxy)benzaldehyde is sourced from PubChem (CID 178142312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).