methyl 2-(2,5-difluoroanilino)acetate

C9H9F2NO2 — CID 28574625

IUPACmethyl 2-(2,5-difluoroanilino)acetate
SMILESCOC(=O)CNc1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO2/c1-14-9(13)5-12-8-4-6(10)2-3-7(8)11/h2-4,12H,5H2,1H3
InChIKeyZFHYJVDSGCVKKM-UHFFFAOYSA-N
MW201.17 g/mol
LogP1.55
Rot. Bonds3

About methyl 2-(2,5-difluoroanilino)acetate

methyl 2-(2,5-difluoroanilino)acetate (PubChem CID 28574625) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is methyl 2-(2,5-difluoroanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,5-difluoroanilino)acetate
PubChem CID28574625
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Namemethyl 2-(2,5-difluoroanilino)acetate
SMILESCOC(=O)CNc1cc(F)ccc1F
InChIInChI=1S/C9H9F2NO2/c1-14-9(13)5-12-8-4-6(10)2-3-7(8)11/h2-4,12H,5H2,1H3
InChIKeyZFHYJVDSGCVKKM-UHFFFAOYSA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(2,5-difluoroanilino)butanoate
CID 43377845
methyl 6-(2,5-difluoroanilino)hexanoate
CID 82538918
N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
CID 34082938
methyl 2-(2-fluoro-4-methoxyanilino)acetate
CID 82539689
methyl 2-[(2,5-difluorophenyl)methylamino]acetate
CID 43312522
2-(2,5-difluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 28574559
methyl 2-[(2,5-difluoroanilino)methyl]-3-methylbutanoate
CID 115253297
2,5-difluoro-N-(2-methoxyethyl)aniline
CID 28574542
N-cyclopropyl-2-(2,5-difluoroanilino)acetamide
CID 28574514
methyl 4-(2,4-difluoroanilino)butanoate
CID 43377916
methyl 2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 37472105
2-(2,5-difluoroanilino)-N-(4-ethoxyphenyl)acetamide
CID 42069587

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-difluoroanilino)acetate?
The IUPAC name of methyl 2-(2,5-difluoroanilino)acetate (CID 28574625) is methyl 2-(2,5-difluoroanilino)acetate.
What is the SMILES notation for methyl 2-(2,5-difluoroanilino)acetate?
The canonical SMILES for methyl 2-(2,5-difluoroanilino)acetate is COC(=O)CNc1cc(F)ccc1F.
What is the InChIKey of methyl 2-(2,5-difluoroanilino)acetate?
The InChIKey is ZFHYJVDSGCVKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-14-9(13)5-12-8-4-6(10)2-3-7(8)11/h2-4,12H,5H2,1H3.
What are the key properties of methyl 2-(2,5-difluoroanilino)acetate?
methyl 2-(2,5-difluoroanilino)acetate has a molecular weight of 201.17 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-difluoroanilino)acetate is sourced from PubChem (CID 28574625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).