[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine

C10H19F3N2O — CID 102784686

IUPAC[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine
SMILESCC1CCN(CCOCC(F)(F)F)C1CN
InChIInChI=1S/C10H19F3N2O/c1-8-2-3-15(9(8)6-14)4-5-16-7-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyZUXWLUUTJAYIGO-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.23
Rot. Bonds5

About [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine

[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine (PubChem CID 102784686) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine
PubChem CID102784686
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine
SMILESCC1CCN(CCOCC(F)(F)F)C1CN
InChIInChI=1S/C10H19F3N2O/c1-8-2-3-15(9(8)6-14)4-5-16-7-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyZUXWLUUTJAYIGO-UHFFFAOYSA-N
XLogP1.23
TPSA38.49 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 ≤ 51.23
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 [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine?
The IUPAC name of [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine (CID 102784686) is [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine?
The canonical SMILES for [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine is CC1CCN(CCOCC(F)(F)F)C1CN.
What is the InChIKey of [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine?
The InChIKey is ZUXWLUUTJAYIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8-2-3-15(9(8)6-14)4-5-16-7-10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine?
[3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine has a molecular weight of 240.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 102784686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).