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

C11H11F3N2O — CID 43521061

IUPAC4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)7-1-3-9(4-2-7)16-6-8(15)5-10(16)17/h1-4,8H,5-6,15H2
InChIKeyVLNIWYCTCDVPFB-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.77
Rot. Bonds1

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

4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 43521061) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID43521061
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)7-1-3-9(4-2-7)16-6-8(15)5-10(16)17/h1-4,8H,5-6,15H2
InChIKeyVLNIWYCTCDVPFB-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl chloride
CID 168712792
5-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-sulfonyl fluoride
CID 168715991
4-amino-1-[2-iodo-4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168700723
4-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 66476045
4-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521028
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
CID 138958614
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one
CID 82495819
4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
CID 168699360
4-amino-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 62813427

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 43521061) is 4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is NC1CC(=O)N(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is VLNIWYCTCDVPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)7-1-3-9(4-2-7)16-6-8(15)5-10(16)17/h1-4,8H,5-6,15H2.
What are the key properties of 4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 244.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 43521061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).