methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate

C11H9F3O4 — CID 63320737

IUPACmethyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(C=O)cc1C(F)(F)F
InChIInChI=1S/C11H9F3O4/c1-17-10(16)6-18-9-3-2-7(5-15)4-8(9)11(12,13)14/h2-5H,6H2,1H3
InChIKeyQFEICFCFMCATGD-UHFFFAOYSA-N
MW262.18 g/mol
LogP2.07
Rot. Bonds4

About methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate

methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate (PubChem CID 63320737) has the molecular formula C11H9F3O4 and a molecular weight of 262.18 g/mol. Its IUPAC name is methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
PubChem CID63320737
Molecular FormulaC11H9F3O4
Molecular Weight262.18 g/mol
Exact Mass262.05
IUPAC Namemethyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(C=O)cc1C(F)(F)F
InChIInChI=1S/C11H9F3O4/c1-17-10(16)6-18-9-3-2-7(5-15)4-8(9)11(12,13)14/h2-5H,6H2,1H3
InChIKeyQFEICFCFMCATGD-UHFFFAOYSA-N
XLogP2.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 63320694
N-ethyl-2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 55205672
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
methyl 2-(2-fluoro-5-formylphenoxy)acetate
CID 168890908
2-[4-formyl-2-(trifluoromethyl)phenoxy]-N-(2-methylpropyl)acetamide
CID 63320739
4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde
CID 55206244
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320520
4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320389
3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
CID 63320392
4-(4-hydroxybutoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320609
4-pentoxy-3-(trifluoromethyl)benzaldehyde
CID 55218912
methyl 2-[4-(2-aminopropyl)-2-(trifluoromethyl)phenoxy]acetate
CID 63320686

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate (CID 63320737) is methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate is COC(=O)COc1ccc(C=O)cc1C(F)(F)F.
What is the InChIKey of methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate?
The InChIKey is QFEICFCFMCATGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3O4/c1-17-10(16)6-18-9-3-2-7(5-15)4-8(9)11(12,13)14/h2-5H,6H2,1H3.
What are the key properties of methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate?
methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate has a molecular weight of 262.18 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate is sourced from PubChem (CID 63320737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).