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

C9H17F3N2O — CID 62063436

IUPAC[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)7-15-4-3-14-2-1-8(5-13)6-14/h8H,1-7,13H2
InChIKeyMOEBJJFEUFTZQH-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.85
Rot. Bonds5

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

[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 62063436) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID62063436
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCOCC(F)(F)F)C1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)7-15-4-3-14-2-1-8(5-13)6-14/h8H,1-7,13H2
InChIKeyMOEBJJFEUFTZQH-UHFFFAOYSA-N
XLogP0.85
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.85
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-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine (CID 62063436) is [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine is NCC1CCN(CCOCC(F)(F)F)C1.
What is the InChIKey of [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is MOEBJJFEUFTZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)7-15-4-3-14-2-1-8(5-13)6-14/h8H,1-7,13H2.
What are the key properties of [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine?
[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 226.24 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62063436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).