1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one

C12H21F3N2O — CID 113323218

IUPAC1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
SMILESCC(NCCCCC(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C12H21F3N2O/c1-10(11(18)17-8-4-5-9-17)16-7-3-2-6-12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyCHXYDSVEKZAFOI-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.32
Rot. Bonds6

About 1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one

1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one (PubChem CID 113323218) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
PubChem CID113323218
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
SMILESCC(NCCCCC(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C12H21F3N2O/c1-10(11(18)17-8-4-5-9-17)16-7-3-2-6-12(13,14)15/h10,16H,2-9H2,1H3
InChIKeyCHXYDSVEKZAFOI-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
CID 115518643
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165
2-(5-hydroxypentylamino)-1-piperidin-1-ylpropan-1-one
CID 113408435
5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid
CID 103262840
1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225
N-[2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397982
1-(azepan-1-yl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]propan-1-one
CID 106176934
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]acetamide
CID 43397981
ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate
CID 95358497
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

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one (CID 113323218) is 1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one is CC(NCCCCC(F)(F)F)C(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one?
The InChIKey is CHXYDSVEKZAFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-10(11(18)17-8-4-5-9-17)16-7-3-2-6-12(13,14)15/h10,16H,2-9H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one?
1-pyrrolidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one has a molecular weight of 266.31 g/mol, XLogP of 2.32, 6 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-(5,5,5-trifluoropentylamino)propan-1-one is sourced from PubChem (CID 113323218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).