2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine

C14H17F3N2O — CID 86246866

IUPAC2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine
SMILESFC(F)(F)C(=NOCCN1CCCC1)c1ccccc1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)13(12-6-2-1-3-7-12)18-20-11-10-19-8-4-5-9-19/h1-3,6-7H,4-5,8-11H2
InChIKeyGWHWJAXHHIIQAX-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.07
Rot. Bonds5

About 2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine

2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine (PubChem CID 86246866) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine
PubChem CID86246866
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine
SMILESFC(F)(F)C(=NOCCN1CCCC1)c1ccccc1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)13(12-6-2-1-3-7-12)18-20-11-10-19-8-4-5-9-19/h1-3,6-7H,4-5,8-11H2
InChIKeyGWHWJAXHHIIQAX-UHFFFAOYSA-N
XLogP3.07
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine?
The IUPAC name of 2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine (CID 86246866) is 2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine.
What is the SMILES notation for 2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine?
The canonical SMILES for 2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine is FC(F)(F)C(=NOCCN1CCCC1)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine?
The InChIKey is GWHWJAXHHIIQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)13(12-6-2-1-3-7-12)18-20-11-10-19-8-4-5-9-19/h1-3,6-7H,4-5,8-11H2.
What are the key properties of 2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine?
2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine has a molecular weight of 286.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-phenyl-N-(2-pyrrolidin-1-ylethoxy)ethanimine is sourced from PubChem (CID 86246866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).