1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one

C11H19F3N2O2 — CID 60734370

IUPAC1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one
SMILESCC(NCCOCC(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C11H19F3N2O2/c1-9(10(17)16-5-2-3-6-16)15-4-7-18-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyAUFIIDMSPOICEO-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.17
Rot. Bonds6

About 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one

1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one (PubChem CID 60734370) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one
PubChem CID60734370
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one
SMILESCC(NCCOCC(F)(F)F)C(=O)N1CCCC1
InChIInChI=1S/C11H19F3N2O2/c1-9(10(17)16-5-2-3-6-16)15-4-7-18-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyAUFIIDMSPOICEO-UHFFFAOYSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxypropan-2-yl)-2-pyrrolidin-1-ylacetamide
CID 47010383
N-(2-methoxyethyl)-2-pyrrolidin-1-ylacetamide
CID 47006247
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
Methyl 2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]butanoate
CID 121524719
N-[(3S)-1-ethyl-5-oxopyrrolidin-3-yl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 125524158
Gly-Pro, butyl ester, TFA
CID 527827
N-trifluoroacetyl-L-prolyl-beta-aminobutyric acid butyl ester
CID 597246
l-Prolylglycine, N-methoxycarbonyl-, 2,2,2-trifluoroethyl ester
CID 91713191
butyl (2S)-2-[[(2S)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]amino]propanoate
CID 101648172
(2S,4S)-N-(2-ethoxyethyl)-4-fluoro-N-methylpyrrolidine-2-carboxamide
CID 70966982
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
Ethane;3-methoxy-2-(2,2,2-trifluoroethylamino)propanamide;pyrrolidine
CID 142596604

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one?
The IUPAC name of 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one (CID 60734370) is 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one is CC(NCCOCC(F)(F)F)C(=O)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one?
The InChIKey is AUFIIDMSPOICEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-9(10(17)16-5-2-3-6-16)15-4-7-18-8-11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one?
1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one has a molecular weight of 268.28 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-one is sourced from PubChem (CID 60734370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).