[(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate

C13H16FNO4 — CID 89271189

IUPAC[(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate
SMILESCC(=O)OC[C@@H](CN(C)c1cccc(F)c1)OC=O
InChIInChI=1S/C13H16FNO4/c1-10(17)18-8-13(19-9-16)7-15(2)12-5-3-4-11(14)6-12/h3-6,9,13H,7-8H2,1-2H3/t13-/m1/s1
InChIKeyDUECIKAPRXKZCX-CYBMUJFWSA-N
MW269.27 g/mol
LogP1.37
Rot. Bonds7

About [(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate

[(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate (PubChem CID 89271189) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is [(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate.

Molecular Properties

Compound Name[(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate
PubChem CID89271189
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name[(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate
SMILESCC(=O)OC[C@@H](CN(C)c1cccc(F)c1)OC=O
InChIInChI=1S/C13H16FNO4/c1-10(17)18-8-13(19-9-16)7-15(2)12-5-3-4-11(14)6-12/h3-6,9,13H,7-8H2,1-2H3/t13-/m1/s1
InChIKeyDUECIKAPRXKZCX-CYBMUJFWSA-N
XLogP1.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate?
The IUPAC name of [(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate (CID 89271189) is [(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate.
What is the SMILES notation for [(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate?
The canonical SMILES for [(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate is CC(=O)OC[C@@H](CN(C)c1cccc(F)c1)OC=O.
What is the InChIKey of [(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate?
The InChIKey is DUECIKAPRXKZCX-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-10(17)18-8-13(19-9-16)7-15(2)12-5-3-4-11(14)6-12/h3-6,9,13H,7-8H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate?
[(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate has a molecular weight of 269.27 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(3-fluoro-N-methylanilino)-2-formyloxypropyl] acetate is sourced from PubChem (CID 89271189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).