1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine

C11H21F3N2O — CID 54962067

IUPAC1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
SMILESCC(CN1CCCC1)NCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-10(8-16-5-2-3-6-16)15-4-7-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyHXTZTEWFJMFLOK-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.64
Rot. Bonds7

About 1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine

1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine (PubChem CID 54962067) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
PubChem CID54962067
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
SMILESCC(CN1CCCC1)NCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-10(8-16-5-2-3-6-16)15-4-7-17-9-11(12,13)14/h10,15H,2-9H2,1H3
InChIKeyHXTZTEWFJMFLOK-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The IUPAC name of 1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine (CID 54962067) is 1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine.
What is the SMILES notation for 1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The canonical SMILES for 1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine is CC(CN1CCCC1)NCCOCC(F)(F)F.
What is the InChIKey of 1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
The InChIKey is HXTZTEWFJMFLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-10(8-16-5-2-3-6-16)15-4-7-17-9-11(12,13)14/h10,15H,2-9H2,1H3.
What are the key properties of 1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine?
1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine has a molecular weight of 254.30 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine is sourced from PubChem (CID 54962067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).