5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde

C15H10BrF3O2 — CID 63530168

IUPAC5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10BrF3O2/c16-13-5-6-14(11(7-13)8-20)21-9-10-1-3-12(4-2-10)15(17,18)19/h1-8H,9H2
InChIKeyNRMZQLZYGVBNCG-UHFFFAOYSA-N
MW359.14 g/mol
LogP4.86
Rot. Bonds4

About 5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde

5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde (PubChem CID 63530168) has the molecular formula C15H10BrF3O2 and a molecular weight of 359.14 g/mol. Its IUPAC name is 5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
PubChem CID63530168
Molecular FormulaC15H10BrF3O2
Molecular Weight359.14 g/mol
Exact Mass357.98
IUPAC Name5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1cc(Br)ccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10BrF3O2/c16-13-5-6-14(11(7-13)8-20)21-9-10-1-3-12(4-2-10)15(17,18)19/h1-8H,9H2
InChIKeyNRMZQLZYGVBNCG-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.14
LogP ≤ 54.86
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

2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
4-bromo-2-[(4-tert-butylphenyl)methoxy]benzaldehyde
CID 58008259
5-bromo-2-[(3,4-dimethylphenyl)methoxy]benzaldehyde
CID 50888934
2-hydroxy-5-(trifluoromethyl)benzaldehyde;2-[(4-methoxyphenyl)methoxy]-5-(trifluoromethyl)benzaldehyde
CID 161167132
5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646173
5-bromo-2-(3-fluoropropoxy)benzaldehyde
CID 81106104
[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
CID 63051638
5-bromo-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60892649
5-bromo-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 882526
5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 2063319
5-bromo-2-(3-pyridin-4-ylpropoxy)benzaldehyde
CID 104952350
5-bromo-2-[(4-fluoro-2-methylphenyl)methoxy]benzaldehyde
CID 114346022

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The IUPAC name of 5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde (CID 63530168) is 5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The canonical SMILES for 5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde is O=Cc1cc(Br)ccc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The InChIKey is NRMZQLZYGVBNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3O2/c16-13-5-6-14(11(7-13)8-20)21-9-10-1-3-12(4-2-10)15(17,18)19/h1-8H,9H2.
What are the key properties of 5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde has a molecular weight of 359.14 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 63530168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).