2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one

C9H15F3N2O2 — CID 119333362

IUPAC2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-7(2,13)6(15)14-4-3-8(16,5-14)9(10,11)12/h16H,3-5,13H2,1-2H3
InChIKeyPMUOKZYCPDFSKV-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.25
Rot. Bonds1

About 2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one

2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one (PubChem CID 119333362) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
PubChem CID119333362
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)(N)C(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c1-7(2,13)6(15)14-4-3-8(16,5-14)9(10,11)12/h16H,3-5,13H2,1-2H3
InChIKeyPMUOKZYCPDFSKV-UHFFFAOYSA-N
XLogP0.25
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one (CID 119333362) is 2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one is CC(C)(N)C(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
The InChIKey is PMUOKZYCPDFSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c1-7(2,13)6(15)14-4-3-8(16,5-14)9(10,11)12/h16H,3-5,13H2,1-2H3.
What are the key properties of 2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one?
2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one has a molecular weight of 240.22 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 119333362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).