5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one

C12H15FN2O — CID 83855728

IUPAC5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(CF)C1c1ccccc1N
InChIInChI=1S/C12H15FN2O/c1-15-11(16)6-8(7-13)12(15)9-4-2-3-5-10(9)14/h2-5,8,12H,6-7,14H2,1H3
InChIKeyZJHLCDBZWUYOOJ-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.76
Rot. Bonds2

About 5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one

5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one (PubChem CID 83855728) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one
PubChem CID83855728
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(CF)C1c1ccccc1N
InChIInChI=1S/C12H15FN2O/c1-15-11(16)6-8(7-13)12(15)9-4-2-3-5-10(9)14/h2-5,8,12H,6-7,14H2,1H3
InChIKeyZJHLCDBZWUYOOJ-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one (CID 83855728) is 5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one is CN1C(=O)CC(CF)C1c1ccccc1N.
What is the InChIKey of 5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one?
The InChIKey is ZJHLCDBZWUYOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-15-11(16)6-8(7-13)12(15)9-4-2-3-5-10(9)14/h2-5,8,12H,6-7,14H2,1H3.
What are the key properties of 5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one?
5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one has a molecular weight of 222.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminophenyl)-4-(fluoromethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 83855728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).