1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one

C11H11F3N2O — CID 16786761

IUPAC1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNc1cc(C(F)(F)F)ccc1N1CCCC1=O
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-9(8(15)6-7)16-5-1-2-10(16)17/h3-4,6H,1-2,5,15H2
InChIKeyXCZFWFQUQMFBKV-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.41
Rot. Bonds1

About 1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one

1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 16786761) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID16786761
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNc1cc(C(F)(F)F)ccc1N1CCCC1=O
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-9(8(15)6-7)16-5-1-2-10(16)17/h3-4,6H,1-2,5,15H2
InChIKeyXCZFWFQUQMFBKV-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.41
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 1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 16786761) is 1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one is Nc1cc(C(F)(F)F)ccc1N1CCCC1=O.
What is the InChIKey of 1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is XCZFWFQUQMFBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)7-3-4-9(8(15)6-7)16-5-1-2-10(16)17/h3-4,6H,1-2,5,15H2.
What are the key properties of 1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 244.22 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 16786761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).