2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H21F3N2O — CID 64584011

IUPAC2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOCC1CCN(C(C)CNCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-9(5-15-8-11(12,13)14)16-4-3-10(6-16)7-17-2/h9-10,15H,3-8H2,1-2H3
InChIKeyZMVAZJJFGDXSEN-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds6

About 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine

2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 64584011) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID64584011
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCOCC1CCN(C(C)CNCC(F)(F)F)C1
InChIInChI=1S/C11H21F3N2O/c1-9(5-15-8-11(12,13)14)16-4-3-10(6-16)7-17-2/h9-10,15H,3-8H2,1-2H3
InChIKeyZMVAZJJFGDXSEN-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 64584011) is 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine is COCC1CCN(C(C)CNCC(F)(F)F)C1.
What is the InChIKey of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is ZMVAZJJFGDXSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-9(5-15-8-11(12,13)14)16-4-3-10(6-16)7-17-2/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 64584011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).