methyl 2-ethyl-2-(2-fluoroanilino)butanoate

C13H18FNO2 — CID 54890887

IUPACmethyl 2-ethyl-2-(2-fluoroanilino)butanoate
SMILESCCC(CC)(Nc1ccccc1F)C(=O)OC
InChIInChI=1S/C13H18FNO2/c1-4-13(5-2,12(16)17-3)15-11-9-7-6-8-10(11)14/h6-9,15H,4-5H2,1-3H3
InChIKeyYBPBJMVUBPDSNU-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.97
Rot. Bonds5

About methyl 2-ethyl-2-(2-fluoroanilino)butanoate

methyl 2-ethyl-2-(2-fluoroanilino)butanoate (PubChem CID 54890887) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is methyl 2-ethyl-2-(2-fluoroanilino)butanoate.

Molecular Properties

Compound Namemethyl 2-ethyl-2-(2-fluoroanilino)butanoate
PubChem CID54890887
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-ethyl-2-(2-fluoroanilino)butanoate
SMILESCCC(CC)(Nc1ccccc1F)C(=O)OC
InChIInChI=1S/C13H18FNO2/c1-4-13(5-2,12(16)17-3)15-11-9-7-6-8-10(11)14/h6-9,15H,4-5H2,1-3H3
InChIKeyYBPBJMVUBPDSNU-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-fluoroanilino)-2-propylpentanoate
CID 54890183
methyl 2-ethyl-2-(2-fluoroanilino)-4-methylhexanoate
CID 60993327
methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
methyl 2-(2-fluoroanilino)-2-methylheptanoate
CID 80557964
methyl 2-(2-fluoroanilino)-2-methylnonanoate
CID 63525929
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
methyl 2-ethyl-2-(4-methylanilino)butanoate
CID 54889628
methyl 3-cyclobutyl-2-(2-fluoroanilino)-2-methylpropanoate
CID 113490114
methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate
CID 60993162
methyl 2-(2-fluoroanilino)-2-pyridin-4-ylpropanoate
CID 60994884
ethyl 2-cyclohexyl-2-(2-fluoroanilino)propanoate
CID 63526274
methyl 2-anilino-2-(2-fluorophenyl)butanoate
CID 115994470

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-2-(2-fluoroanilino)butanoate?
The IUPAC name of methyl 2-ethyl-2-(2-fluoroanilino)butanoate (CID 54890887) is methyl 2-ethyl-2-(2-fluoroanilino)butanoate.
What is the SMILES notation for methyl 2-ethyl-2-(2-fluoroanilino)butanoate?
The canonical SMILES for methyl 2-ethyl-2-(2-fluoroanilino)butanoate is CCC(CC)(Nc1ccccc1F)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-2-(2-fluoroanilino)butanoate?
The InChIKey is YBPBJMVUBPDSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-4-13(5-2,12(16)17-3)15-11-9-7-6-8-10(11)14/h6-9,15H,4-5H2,1-3H3.
What are the key properties of methyl 2-ethyl-2-(2-fluoroanilino)butanoate?
methyl 2-ethyl-2-(2-fluoroanilino)butanoate has a molecular weight of 239.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-2-(2-fluoroanilino)butanoate is sourced from PubChem (CID 54890887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).