3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C6H9F3N2O — CID 54592868

IUPAC3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESNC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)3-11-2-1-4(10)5(11)12/h4H,1-3,10H2
InChIKeyTWVHINYORFLENM-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.11
Rot. Bonds1

About 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 54592868) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID54592868
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESNC1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)3-11-2-1-4(10)5(11)12/h4H,1-3,10H2
InChIKeyTWVHINYORFLENM-UHFFFAOYSA-N
XLogP0.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 54592868) is 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is NC1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is TWVHINYORFLENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)3-11-2-1-4(10)5(11)12/h4H,1-3,10H2.
What are the key properties of 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 182.14 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 54592868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).