methyl 3-(3,4-difluoroanilino)propanoate

C10H11F2NO2 — CID 43365403

IUPACmethyl 3-(3,4-difluoroanilino)propanoate
SMILESCOC(=O)CCNc1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO2/c1-15-10(14)4-5-13-7-2-3-8(11)9(12)6-7/h2-3,6,13H,4-5H2,1H3
InChIKeyVPYIKEFXHDDHHG-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.94
Rot. Bonds4

About methyl 3-(3,4-difluoroanilino)propanoate

methyl 3-(3,4-difluoroanilino)propanoate (PubChem CID 43365403) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl 3-(3,4-difluoroanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-difluoroanilino)propanoate
PubChem CID43365403
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl 3-(3,4-difluoroanilino)propanoate
SMILESCOC(=O)CCNc1ccc(F)c(F)c1
InChIInChI=1S/C10H11F2NO2/c1-15-10(14)4-5-13-7-2-3-8(11)9(12)6-7/h2-3,6,13H,4-5H2,1H3
InChIKeyVPYIKEFXHDDHHG-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3,4-difluoroanilino)butanoate
CID 43377896
methyl 3-(3-amino-4-methylanilino)propanoate
CID 62911969
methyl 4-(3-fluoro-4-methoxyanilino)butanoate
CID 43380727
methyl 3-[(3,4-difluorophenyl)methylamino]propanoate
CID 43088323
N-(4-acetamidophenyl)-3-(3,4-difluoroanilino)propanamide
CID 109041238
3-(3,4-difluoroanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040581
3,4-difluoro-N-(2-methoxyethyl)aniline
CID 28579883
methyl 3-(2,6-difluoroanilino)propanoate
CID 43365450
3-(3,4-difluoroanilino)-N,N-dipropylpropanamide
CID 109033102
5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
methyl 3-(4-formylanilino)propanoate
CID 21163305
butyl 2-(3,4-difluoroanilino)acetate
CID 54917881

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-difluoroanilino)propanoate?
The IUPAC name of methyl 3-(3,4-difluoroanilino)propanoate (CID 43365403) is methyl 3-(3,4-difluoroanilino)propanoate.
What is the SMILES notation for methyl 3-(3,4-difluoroanilino)propanoate?
The canonical SMILES for methyl 3-(3,4-difluoroanilino)propanoate is COC(=O)CCNc1ccc(F)c(F)c1.
What is the InChIKey of methyl 3-(3,4-difluoroanilino)propanoate?
The InChIKey is VPYIKEFXHDDHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-10(14)4-5-13-7-2-3-8(11)9(12)6-7/h2-3,6,13H,4-5H2,1H3.
What are the key properties of methyl 3-(3,4-difluoroanilino)propanoate?
methyl 3-(3,4-difluoroanilino)propanoate has a molecular weight of 215.20 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-difluoroanilino)propanoate is sourced from PubChem (CID 43365403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).