3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal

C19H15F3N2O2 — CID 88837166

IUPAC3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal
SMILESO=CC(Oc1cccc(C(F)(F)F)c1)C(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)14-7-4-8-15(11-14)26-16(12-25)17(18-23-9-10-24-18)13-5-2-1-3-6-13/h1-12,16-17H,(H,23,24)
InChIKeyFGUYXEYVAGNERQ-UHFFFAOYSA-N
MW360.34 g/mol
LogP4.21
Rot. Bonds6

About 3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal

3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal (PubChem CID 88837166) has the molecular formula C19H15F3N2O2 and a molecular weight of 360.34 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal
PubChem CID88837166
Molecular FormulaC19H15F3N2O2
Molecular Weight360.34 g/mol
Exact Mass360.11
IUPAC Name3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal
SMILESO=CC(Oc1cccc(C(F)(F)F)c1)C(c1ccccc1)c1ncc[nH]1
InChIInChI=1S/C19H15F3N2O2/c20-19(21,22)14-7-4-8-15(11-14)26-16(12-25)17(18-23-9-10-24-18)13-5-2-1-3-6-13/h1-12,16-17H,(H,23,24)
InChIKeyFGUYXEYVAGNERQ-UHFFFAOYSA-N
XLogP4.21
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
CID 88515139
CID 88515139
1-phenyl-2-[3-(trifluoromethyl)phenoxy]ethanamine;hydrochloride
CID 164622114
1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 117068544
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
1-[(R)-bromo(phenyl)methyl]-3-(trifluoromethyl)benzene
CID 124554901
1-[5-[1-[3-(trifluoromethyl)phenoxy]ethyl]pyrazol-1-yl]ethanone
CID 2764698
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
(3-fluorophenyl)-(1H-imidazol-2-yl)methanol
CID 66771409
4-[3-(trifluoromethyl)phenoxy]butanal
CID 175942247

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal?
The IUPAC name of 3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal (CID 88837166) is 3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal?
The canonical SMILES for 3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal is O=CC(Oc1cccc(C(F)(F)F)c1)C(c1ccccc1)c1ncc[nH]1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal?
The InChIKey is FGUYXEYVAGNERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O2/c20-19(21,22)14-7-4-8-15(11-14)26-16(12-25)17(18-23-9-10-24-18)13-5-2-1-3-6-13/h1-12,16-17H,(H,23,24).
What are the key properties of 3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal?
3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal has a molecular weight of 360.34 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-3-phenyl-2-[3-(trifluoromethyl)phenoxy]propanal is sourced from PubChem (CID 88837166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).