methyl 2-(2,6-difluoro-4-formylphenoxy)acetate

C10H8F2O4 — CID 79891826

IUPACmethyl 2-(2,6-difluoro-4-formylphenoxy)acetate
SMILESCOC(=O)COc1c(F)cc(C=O)cc1F
InChIInChI=1S/C10H8F2O4/c1-15-9(14)5-16-10-7(11)2-6(4-13)3-8(10)12/h2-4H,5H2,1H3
InChIKeyYFNZXXUTOMFVBT-UHFFFAOYSA-N
MW230.17 g/mol
LogP1.33
Rot. Bonds4

About methyl 2-(2,6-difluoro-4-formylphenoxy)acetate

methyl 2-(2,6-difluoro-4-formylphenoxy)acetate (PubChem CID 79891826) has the molecular formula C10H8F2O4 and a molecular weight of 230.17 g/mol. Its IUPAC name is methyl 2-(2,6-difluoro-4-formylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2,6-difluoro-4-formylphenoxy)acetate
PubChem CID79891826
Molecular FormulaC10H8F2O4
Molecular Weight230.17 g/mol
Exact Mass230.04
IUPAC Namemethyl 2-(2,6-difluoro-4-formylphenoxy)acetate
SMILESCOC(=O)COc1c(F)cc(C=O)cc1F
InChIInChI=1S/C10H8F2O4/c1-15-9(14)5-16-10-7(11)2-6(4-13)3-8(10)12/h2-4H,5H2,1H3
InChIKeyYFNZXXUTOMFVBT-UHFFFAOYSA-N
XLogP1.33
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 51.33
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

methyl 2-(2-fluoro-5-formylphenoxy)acetate
CID 168890908
4-(2-chloroprop-2-enoxy)-3,5-difluorobenzaldehyde
CID 79892297
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
methyl 2-(3-bromo-5-formylphenoxy)acetate
CID 144883956
4-butoxy-3,5-difluorobenzaldehyde
CID 79018256
methyl 2-(4-chlorosulfonyl-2,6-difluorophenoxy)acetate;methyl 2-(2,6-difluoro-4-sulfanylphenoxy)acetate
CID 161085130
4-(2,6-difluoro-4-formylphenoxy)-N,N-dimethylbutanamide
CID 79891319
4-but-2-ynoxy-3,5-difluorobenzaldehyde
CID 79891326
methyl 2-(2,6-difluoro-3-methylphenoxy)acetate
CID 146259650
4-(3,3-dimethylbutoxy)-3,5-difluorobenzaldehyde
CID 79892136
methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
CID 63320737
3-fluoro-4-methoxy-5-methylbenzaldehyde
CID 83827035

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-difluoro-4-formylphenoxy)acetate?
The IUPAC name of methyl 2-(2,6-difluoro-4-formylphenoxy)acetate (CID 79891826) is methyl 2-(2,6-difluoro-4-formylphenoxy)acetate.
What is the SMILES notation for methyl 2-(2,6-difluoro-4-formylphenoxy)acetate?
The canonical SMILES for methyl 2-(2,6-difluoro-4-formylphenoxy)acetate is COC(=O)COc1c(F)cc(C=O)cc1F.
What is the InChIKey of methyl 2-(2,6-difluoro-4-formylphenoxy)acetate?
The InChIKey is YFNZXXUTOMFVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O4/c1-15-9(14)5-16-10-7(11)2-6(4-13)3-8(10)12/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(2,6-difluoro-4-formylphenoxy)acetate?
methyl 2-(2,6-difluoro-4-formylphenoxy)acetate has a molecular weight of 230.17 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-difluoro-4-formylphenoxy)acetate is sourced from PubChem (CID 79891826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).