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

C15H11F3O2 — CID 60681232

IUPAC2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)13-7-5-11(6-8-13)10-20-14-4-2-1-3-12(14)9-19/h1-9H,10H2
InChIKeyODEGDZHHJDDLTM-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.10
Rot. Bonds4

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

2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde (PubChem CID 60681232) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
PubChem CID60681232
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
SMILESO=Cc1ccccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11F3O2/c16-15(17,18)13-7-5-11(6-8-13)10-20-14-4-2-1-3-12(14)9-19/h1-9H,10H2
InChIKeyODEGDZHHJDDLTM-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.10
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-tert-butylphenyl)methoxy]benzaldehyde
CID 22359834
5-bromo-2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 63530168
2-[[4-(hydroxymethyl)phenyl]methoxy]benzaldehyde
CID 110005164
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
2-[(3,5-difluorophenyl)methoxy]benzaldehyde
CID 105403637
2-fluoro-3-phenylmethoxy-5-(trifluoromethyl)benzaldehyde
CID 146034992
2-phenylmethoxy-6-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 172993950
1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 18551352
6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
CID 167053235
4-[(2-formylphenoxy)methyl]-N,N-dimethylbenzenesulfonamide
CID 10860151
ethyl 4-[(2-formylphenoxy)methyl]benzoate
CID 87464157

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde (CID 60681232) is 2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde is O=Cc1ccccc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
The InChIKey is ODEGDZHHJDDLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c16-15(17,18)13-7-5-11(6-8-13)10-20-14-4-2-1-3-12(14)9-19/h1-9H,10H2.
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde?
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde has a molecular weight of 280.25 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde is sourced from PubChem (CID 60681232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).