1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one

C9H15F3N2O — CID 43089165

IUPAC1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
SMILESCC(NCC(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C9H15F3N2O/c1-7(13-6-9(10,11)12)8(15)14-4-2-3-5-14/h7,13H,2-6H2,1H3
InChIKeyVJPRDSDNFCULDD-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.15
Rot. Bonds3

About 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one

1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one (PubChem CID 43089165) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
PubChem CID43089165
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
SMILESCC(NCC(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C9H15F3N2O/c1-7(13-6-9(10,11)12)8(15)14-4-2-3-5-14/h7,13H,2-6H2,1H3
InChIKeyVJPRDSDNFCULDD-UHFFFAOYSA-N
XLogP1.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]propan-1-one
CID 106176934
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CID 113323218
1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
CID 115518643
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114149934
N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide
CID 63859159
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114163658
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106147291
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372
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CID 103367515
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114164804
2,2,2-trifluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62490280
2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one (CID 43089165) is 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one is CC(NCC(F)(F)F)C(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one?
The InChIKey is VJPRDSDNFCULDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-7(13-6-9(10,11)12)8(15)14-4-2-3-5-14/h7,13H,2-6H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one?
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one has a molecular weight of 224.23 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one is sourced from PubChem (CID 43089165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).