methyl 3-(2,6-difluoroanilino)propanoate

C10H11F2NO2 — CID 43365450

IUPACmethyl 3-(2,6-difluoroanilino)propanoate
SMILESCOC(=O)CCNc1c(F)cccc1F
InChIInChI=1S/C10H11F2NO2/c1-15-9(14)5-6-13-10-7(11)3-2-4-8(10)12/h2-4,13H,5-6H2,1H3
InChIKeyVZUVQQXRRPRYIA-UHFFFAOYSA-N
MW215.20 g/mol
LogP1.94
Rot. Bonds4

About methyl 3-(2,6-difluoroanilino)propanoate

methyl 3-(2,6-difluoroanilino)propanoate (PubChem CID 43365450) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl 3-(2,6-difluoroanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2,6-difluoroanilino)propanoate
PubChem CID43365450
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl 3-(2,6-difluoroanilino)propanoate
SMILESCOC(=O)CCNc1c(F)cccc1F
InChIInChI=1S/C10H11F2NO2/c1-15-9(14)5-6-13-10-7(11)3-2-4-8(10)12/h2-4,13H,5-6H2,1H3
InChIKeyVZUVQQXRRPRYIA-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 3-(3,4-difluoroanilino)propanoate
CID 43365403
methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
CID 104916458
4-(2,6-difluoroanilino)butanoic acid
CID 28974618
methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate
CID 83079052
3-(2,6-diethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 109037146
methyl 4-(2-fluoroanilino)butanoate
CID 43377911
methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate
CID 61460236
methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601
2,6-difluoro-N-(3-methoxypropyl)aniline
CID 60926433
2,6-difluoro-N-propylaniline
CID 21161523
3-(2,6-dichloroanilino)-N-(2,6-difluorophenyl)propanamide
CID 109042717
3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013409

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,6-difluoroanilino)propanoate?
The IUPAC name of methyl 3-(2,6-difluoroanilino)propanoate (CID 43365450) is methyl 3-(2,6-difluoroanilino)propanoate.
What is the SMILES notation for methyl 3-(2,6-difluoroanilino)propanoate?
The canonical SMILES for methyl 3-(2,6-difluoroanilino)propanoate is COC(=O)CCNc1c(F)cccc1F.
What is the InChIKey of methyl 3-(2,6-difluoroanilino)propanoate?
The InChIKey is VZUVQQXRRPRYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-15-9(14)5-6-13-10-7(11)3-2-4-8(10)12/h2-4,13H,5-6H2,1H3.
What are the key properties of methyl 3-(2,6-difluoroanilino)propanoate?
methyl 3-(2,6-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-(2,6-difluoroanilino)propanoate is sourced from PubChem (CID 43365450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).