2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H19F3N2O — CID 103540023

IUPAC2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOC1CCN(C(C)CNCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-8(5-14-7-10(11,12)13)15-4-3-9(6-15)16-2/h8-9,14H,3-7H2,1-2H3
InChIKeyOBHHLXSEIZSWOQ-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds5

About 2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 103540023) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID103540023
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOC1CCN(C(C)CNCC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O/c1-8(5-14-7-10(11,12)13)15-4-3-9(6-15)16-2/h8-9,14H,3-7H2,1-2H3
InChIKeyOBHHLXSEIZSWOQ-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 103540023) is 2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is COC1CCN(C(C)CNCC(F)(F)F)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is OBHHLXSEIZSWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8(5-14-7-10(11,12)13)15-4-3-9(6-15)16-2/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 103540023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).