(3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride

C6H10ClF3N2O — CID 130236749

IUPAC(3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C6H9F3N2O.ClH/c7-6(8,9)3-11-2-1-4(10)5(11)12;/h4H,1-3,10H2;1H/t4-;/m1./s1
InChIKeyUDTUDTVYPMZVGG-PGMHMLKASA-N
MW218.61 g/mol
LogP0.53
Rot. Bonds1

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

(3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride (PubChem CID 130236749) has the molecular formula C6H10ClF3N2O and a molecular weight of 218.61 g/mol. Its IUPAC name is (3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride
PubChem CID130236749
Molecular FormulaC6H10ClF3N2O
Molecular Weight218.61 g/mol
Exact Mass218.04
IUPAC Name(3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride
SMILESCl.N[C@@H]1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C6H9F3N2O.ClH/c7-6(8,9)3-11-2-1-4(10)5(11)12;/h4H,1-3,10H2;1H/t4-;/m1./s1
InChIKeyUDTUDTVYPMZVGG-PGMHMLKASA-N
XLogP0.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.61
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride?
The IUPAC name of (3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride (CID 130236749) is (3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for (3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride?
The canonical SMILES for (3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride is Cl.N[C@@H]1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of (3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride?
The InChIKey is UDTUDTVYPMZVGG-PGMHMLKASA-N. The full InChI is InChI=1S/C6H9F3N2O.ClH/c7-6(8,9)3-11-2-1-4(10)5(11)12;/h4H,1-3,10H2;1H/t4-;/m1./s1.
What are the key properties of (3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride?
(3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride has a molecular weight of 218.61 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 130236749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).