methyl 2-(4-fluoroanilino)propanoate

C10H12FNO2 — CID 18913672

IUPACmethyl 2-(4-fluoroanilino)propanoate
SMILESCOC(=O)C(C)Nc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-7(10(13)14-2)12-9-5-3-8(11)4-6-9/h3-7,12H,1-2H3
InChIKeyGMIYZSFSDFREPD-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.80
Rot. Bonds3

About methyl 2-(4-fluoroanilino)propanoate

methyl 2-(4-fluoroanilino)propanoate (PubChem CID 18913672) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is methyl 2-(4-fluoroanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-fluoroanilino)propanoate
PubChem CID18913672
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Namemethyl 2-(4-fluoroanilino)propanoate
SMILESCOC(=O)C(C)Nc1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-7(10(13)14-2)12-9-5-3-8(11)4-6-9/h3-7,12H,1-2H3
InChIKeyGMIYZSFSDFREPD-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoroanilino)propanoate?
The IUPAC name of methyl 2-(4-fluoroanilino)propanoate (CID 18913672) is methyl 2-(4-fluoroanilino)propanoate.
What is the SMILES notation for methyl 2-(4-fluoroanilino)propanoate?
The canonical SMILES for methyl 2-(4-fluoroanilino)propanoate is COC(=O)C(C)Nc1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluoroanilino)propanoate?
The InChIKey is GMIYZSFSDFREPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-7(10(13)14-2)12-9-5-3-8(11)4-6-9/h3-7,12H,1-2H3.
What are the key properties of methyl 2-(4-fluoroanilino)propanoate?
methyl 2-(4-fluoroanilino)propanoate has a molecular weight of 197.21 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoroanilino)propanoate is sourced from PubChem (CID 18913672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).