3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde

C15H11F3O3 — CID 91655985

IUPAC3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde
SMILESO=Cc1cccc(COc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)21-14-6-4-13(5-7-14)20-10-12-3-1-2-11(8-12)9-19/h1-9H,10H2
InChIKeyJKKAEGUPJYNUBH-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.98
Rot. Bonds5

About 3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde

3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde (PubChem CID 91655985) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde.

Molecular Properties

Compound Name3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde
PubChem CID91655985
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde
SMILESO=Cc1cccc(COc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)21-14-6-4-13(5-7-14)20-10-12-3-1-2-11(8-12)9-19/h1-9H,10H2
InChIKeyJKKAEGUPJYNUBH-UHFFFAOYSA-N
XLogP3.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 53.98
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

4-[[3-[(4-formylphenoxy)methyl]phenyl]methoxy]benzaldehyde
CID 19038438
3-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanylmethyl]benzaldehyde
CID 152717830
3-[[4-(2,4,5-trifluorophenyl)phenoxy]methyl]benzaldehyde
CID 58293982
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
3-[(2,4,6-trifluorophenoxy)methyl]benzaldehyde
CID 122476157
2-[4-oxo-2-[[3-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetic acid
CID 168620370
5-[4-(trifluoromethoxy)phenyl]-2-[[3-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 58007781
1-(bromomethyl)-3-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 43324698

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde?
The IUPAC name of 3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde (CID 91655985) is 3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde.
What is the SMILES notation for 3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde?
The canonical SMILES for 3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde is O=Cc1cccc(COc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde?
The InChIKey is JKKAEGUPJYNUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c16-15(17,18)21-14-6-4-13(5-7-14)20-10-12-3-1-2-11(8-12)9-19/h1-9H,10H2.
What are the key properties of 3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde?
3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde has a molecular weight of 296.24 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde is sourced from PubChem (CID 91655985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).