prop-2-enyl 2-(4-fluoroanilino)acetate

C11H12FNO2 — CID 145294426

IUPACprop-2-enyl 2-(4-fluoroanilino)acetate
SMILESC=CCOC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c1-2-7-15-11(14)8-13-10-5-3-9(12)4-6-10/h2-6,13H,1,7-8H2
InChIKeyUOHYYYSDHPYJOR-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.97
Rot. Bonds5

About prop-2-enyl 2-(4-fluoroanilino)acetate

prop-2-enyl 2-(4-fluoroanilino)acetate (PubChem CID 145294426) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is prop-2-enyl 2-(4-fluoroanilino)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(4-fluoroanilino)acetate
PubChem CID145294426
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Nameprop-2-enyl 2-(4-fluoroanilino)acetate
SMILESC=CCOC(=O)CNc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c1-2-7-15-11(14)8-13-10-5-3-9(12)4-6-10/h2-6,13H,1,7-8H2
InChIKeyUOHYYYSDHPYJOR-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

fluoro 2-(4-fluoroanilino)acetate
CID 143108358
sodium 5-chloro-2-[[2-[2-[4-(4-fluorophenyl)anilino]acetyl]oxyacetyl]amino]benzoate
CID 118893041
prop-2-enyl N-[2-[(4-fluorobenzoyl)amino]ethyl]carbamate
CID 108570849
N-[(Z)-(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 126366009
[(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate
CID 164678558
prop-2-enyl 2-amino-3-(4-fluorophenyl)propanoate;hydrochloride
CID 174107784
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
2-(4-fluoroanilino)-2-methylhex-5-enamide
CID 104655903
N-methyl-2-(4-prop-2-enoxyanilino)acetamide
CID 54821477
N-[4-[[2-(4-fluoroanilino)acetyl]amino]phenyl]propanamide
CID 54813242
propyl 2-(4-hydroxyanilino)acetate
CID 22630351
N-ethyl-2-(4-fluoroanilino)-N-methylacetamide
CID 43309636

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(4-fluoroanilino)acetate?
The IUPAC name of prop-2-enyl 2-(4-fluoroanilino)acetate (CID 145294426) is prop-2-enyl 2-(4-fluoroanilino)acetate.
What is the SMILES notation for prop-2-enyl 2-(4-fluoroanilino)acetate?
The canonical SMILES for prop-2-enyl 2-(4-fluoroanilino)acetate is C=CCOC(=O)CNc1ccc(F)cc1.
What is the InChIKey of prop-2-enyl 2-(4-fluoroanilino)acetate?
The InChIKey is UOHYYYSDHPYJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-2-7-15-11(14)8-13-10-5-3-9(12)4-6-10/h2-6,13H,1,7-8H2.
What are the key properties of prop-2-enyl 2-(4-fluoroanilino)acetate?
prop-2-enyl 2-(4-fluoroanilino)acetate has a molecular weight of 209.22 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(4-fluoroanilino)acetate is sourced from PubChem (CID 145294426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).