[(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate

C12H16FNO2 — CID 174837495

IUPAC[(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONCc1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-12(2,3)11(15)16-14-8-9-6-4-5-7-10(9)13/h4-7,14H,8H2,1-3H3
InChIKeyGNRZLCCZPSUJKB-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.42
Rot. Bonds3

About [(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate

[(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate (PubChem CID 174837495) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate
PubChem CID174837495
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ONCc1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-12(2,3)11(15)16-14-8-9-6-4-5-7-10(9)13/h4-7,14H,8H2,1-3H3
InChIKeyGNRZLCCZPSUJKB-UHFFFAOYSA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate 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 [(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate?
The IUPAC name of [(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate (CID 174837495) is [(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate.
What is the SMILES notation for [(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate?
The canonical SMILES for [(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ONCc1ccccc1F.
What is the InChIKey of [(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate?
The InChIKey is GNRZLCCZPSUJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(2,3)11(15)16-14-8-9-6-4-5-7-10(9)13/h4-7,14H,8H2,1-3H3.
What are the key properties of [(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate?
[(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate has a molecular weight of 225.26 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-fluorophenyl)methylamino] 2,2-dimethylpropanoate is sourced from PubChem (CID 174837495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).