2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine

C6H9F3N2 — CID 12864060

IUPAC2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(\N1CCCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c7-6(8,9)5(10)11-3-1-2-4-11/h10H,1-4H2/b10-5-
InChIKeyLTRCAYRPWXMHIQ-YHYXMXQVSA-N
MW166.15 g/mol
LogP1.62
Rot. Bonds

About 2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine

2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine (PubChem CID 12864060) has the molecular formula C6H9F3N2 and a molecular weight of 166.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine
PubChem CID12864060
Molecular FormulaC6H9F3N2
Molecular Weight166.15 g/mol
Exact Mass166.07
IUPAC Name2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(\N1CCCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2/c7-6(8,9)5(10)11-3-1-2-4-11/h10H,1-4H2/b10-5-
InChIKeyLTRCAYRPWXMHIQ-YHYXMXQVSA-N
XLogP1.62
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine?
The IUPAC name of 2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine (CID 12864060) is 2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for 2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine?
The canonical SMILES for 2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine is [H]/N=C(\N1CCCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine?
The InChIKey is LTRCAYRPWXMHIQ-YHYXMXQVSA-N. The full InChI is InChI=1S/C6H9F3N2/c7-6(8,9)5(10)11-3-1-2-4-11/h10H,1-4H2/b10-5-.
What are the key properties of 2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine?
2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine has a molecular weight of 166.15 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 12864060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).