2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine

C8H15F3N2O — CID 107911835

IUPAC2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)CONCCN1CCCC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7-14-12-3-6-13-4-1-2-5-13/h12H,1-7H2
InChIKeyGMVFNZJFPYXECM-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.17
Rot. Bonds5

About 2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine

2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 107911835) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID107911835
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESFC(F)(F)CONCCN1CCCC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)7-14-12-3-6-13-4-1-2-5-13/h12H,1-7H2
InChIKeyGMVFNZJFPYXECM-UHFFFAOYSA-N
XLogP1.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
CID 82710543
N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
CID 82710642
1-cyclopropyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
CID 82710656
1-propan-2-yl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
CID 82710876
1-methyl-N-(2,2,2-trifluoroethoxy)pyrrolidin-3-amine
CID 82711326
3-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82721638
1,1,1-Trifluoro-2-(1,2-oxazolidin-2-yl)pentan-3-amine
CID 104101508
3,3,3-Trifluoro-2-(1,2-oxazolidin-2-yl)propan-1-amine
CID 104101520
1-pyrrolidin-2-yl-N-(2,2,2-trifluoroethoxy)methanamine
CID 106639093
N-ethoxy-2-pyrrolidin-1-ylethanamine
CID 103864704

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine (CID 107911835) is 2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine is FC(F)(F)CONCCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is GMVFNZJFPYXECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)7-14-12-3-6-13-4-1-2-5-13/h12H,1-7H2.
What are the key properties of 2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine?
2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 212.21 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 107911835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).