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

C10H17F3N2O2 — CID 63826641

IUPAC1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone
SMILESO=C(CNCCOCC(F)(F)F)N1CCCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)8-17-6-3-14-7-9(16)15-4-1-2-5-15/h14H,1-8H2
InChIKeyJXNNXKXIPWZEDF-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.78
Rot. Bonds6

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

1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone (PubChem CID 63826641) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone
PubChem CID63826641
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone
SMILESO=C(CNCCOCC(F)(F)F)N1CCCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)8-17-6-3-14-7-9(16)15-4-1-2-5-15/h14H,1-8H2
InChIKeyJXNNXKXIPWZEDF-UHFFFAOYSA-N
XLogP0.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.78
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

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CID 45823480
CID 54961947
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CID 54989313
CID 54989313
CID 55031854
CID 55031854
CID 55259535
CID 55259535
CID 55259723
CID 55259723
CID 55261828
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CID 55261841
CID 55261841

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone (CID 63826641) is 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone is O=C(CNCCOCC(F)(F)F)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone?
The InChIKey is JXNNXKXIPWZEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)8-17-6-3-14-7-9(16)15-4-1-2-5-15/h14H,1-8H2.
What are the key properties of 1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone?
1-pyrrolidin-1-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanone has a molecular weight of 254.25 g/mol, XLogP of 0.78, 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]ethanone is sourced from PubChem (CID 63826641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).