methyl 2-(2,6-difluoro-3-methylanilino)acetate

C10H11F2NO2 — CID 82818418

IUPACmethyl 2-(2,6-difluoro-3-methylanilino)acetate
SMILESCOC(=O)CNc1c(F)ccc(C)c1F
InChIInChI=1S/C10H11F2NO2/c1-6-3-4-7(11)10(9(6)12)13-5-8(14)15-2/h3-4,13H,5H2,1-2H3
InChIKeyDISURPZHLLRTIL-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.86
Rot. Bonds3

About methyl 2-(2,6-difluoro-3-methylanilino)acetate

methyl 2-(2,6-difluoro-3-methylanilino)acetate (PubChem CID 82818418) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl 2-(2,6-difluoro-3-methylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,6-difluoro-3-methylanilino)acetate
PubChem CID82818418
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl 2-(2,6-difluoro-3-methylanilino)acetate
SMILESCOC(=O)CNc1c(F)ccc(C)c1F
InChIInChI=1S/C10H11F2NO2/c1-6-3-4-7(11)10(9(6)12)13-5-8(14)15-2/h3-4,13H,5H2,1-2H3
InChIKeyDISURPZHLLRTIL-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-difluoro-3-methylanilino)propanamide
CID 82818003
2-(2,6-difluoro-3-methylanilino)-N-pentan-2-ylacetamide
CID 82817932
2-(2,6-difluoro-3-methylanilino)-N-(3-methylbutyl)acetamide
CID 82818577
3-(2,6-difluoro-3-methylanilino)-N,N-dimethylpropanamide
CID 82819128
methyl 2-(2,6-difluoro-3-methylphenoxy)acetate
CID 146259650
methyl 2-(2,5-difluoroanilino)acetate
CID 28574625
methyl 3-[(2,6-difluoro-3-methylphenyl)sulfamoyl-methylamino]propanoate
CID 82798709
N-(2,6-difluoro-3-methylphenyl)propanamide
CID 82820072
4-(2,6-difluoro-3-methylanilino)-N,N-dimethylbutanamide
CID 82818166
methyl 2-(2-fluoro-3,6-dimethylphenyl)acetate
CID 130870256
methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate
CID 115233215
3-(2,6-difluoro-3-methylanilino)-3-oxopropanoic acid
CID 82820377

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,6-difluoro-3-methylanilino)acetate?
The IUPAC name of methyl 2-(2,6-difluoro-3-methylanilino)acetate (CID 82818418) is methyl 2-(2,6-difluoro-3-methylanilino)acetate.
What is the SMILES notation for methyl 2-(2,6-difluoro-3-methylanilino)acetate?
The canonical SMILES for methyl 2-(2,6-difluoro-3-methylanilino)acetate is COC(=O)CNc1c(F)ccc(C)c1F.
What is the InChIKey of methyl 2-(2,6-difluoro-3-methylanilino)acetate?
The InChIKey is DISURPZHLLRTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-6-3-4-7(11)10(9(6)12)13-5-8(14)15-2/h3-4,13H,5H2,1-2H3.
What are the key properties of methyl 2-(2,6-difluoro-3-methylanilino)acetate?
methyl 2-(2,6-difluoro-3-methylanilino)acetate has a molecular weight of 215.20 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,6-difluoro-3-methylanilino)acetate is sourced from PubChem (CID 82818418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).