2-(N-amino-4-fluoroanilino)ethyl acetate

C10H13FN2O2 — CID 174542148

IUPAC2-(N-amino-4-fluoroanilino)ethyl acetate
SMILESCC(=O)OCCN(N)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O2/c1-8(14)15-7-6-13(12)10-4-2-9(11)3-5-10/h2-5H,6-7,12H2,1H3
InChIKeyLQAISZUWXZSGBB-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.07
Rot. Bonds4

About 2-(N-amino-4-fluoroanilino)ethyl acetate

2-(N-amino-4-fluoroanilino)ethyl acetate (PubChem CID 174542148) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(N-amino-4-fluoroanilino)ethyl acetate.

Molecular Properties

Compound Name2-(N-amino-4-fluoroanilino)ethyl acetate
PubChem CID174542148
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-(N-amino-4-fluoroanilino)ethyl acetate
SMILESCC(=O)OCCN(N)c1ccc(F)cc1
InChIInChI=1S/C10H13FN2O2/c1-8(14)15-7-6-13(12)10-4-2-9(11)3-5-10/h2-5H,6-7,12H2,1H3
InChIKeyLQAISZUWXZSGBB-UHFFFAOYSA-N
XLogP1.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N-amino-4-fluoroanilino)ethyl acetate?
The IUPAC name of 2-(N-amino-4-fluoroanilino)ethyl acetate (CID 174542148) is 2-(N-amino-4-fluoroanilino)ethyl acetate.
What is the SMILES notation for 2-(N-amino-4-fluoroanilino)ethyl acetate?
The canonical SMILES for 2-(N-amino-4-fluoroanilino)ethyl acetate is CC(=O)OCCN(N)c1ccc(F)cc1.
What is the InChIKey of 2-(N-amino-4-fluoroanilino)ethyl acetate?
The InChIKey is LQAISZUWXZSGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-8(14)15-7-6-13(12)10-4-2-9(11)3-5-10/h2-5H,6-7,12H2,1H3.
What are the key properties of 2-(N-amino-4-fluoroanilino)ethyl acetate?
2-(N-amino-4-fluoroanilino)ethyl acetate has a molecular weight of 212.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-amino-4-fluoroanilino)ethyl acetate is sourced from PubChem (CID 174542148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).