2,2,2-trifluoro-1-morpholin-4-ylethanimine

C6H9F3N2O — CID 12864059

IUPAC2,2,2-trifluoro-1-morpholin-4-ylethanimine
SMILES[H]/N=C(\N1CCOCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)5(10)11-1-3-12-4-2-11/h10H,1-4H2/b10-5-
InChIKeyCKWKKRFJQDYVBM-YHYXMXQVSA-N
MW182.14 g/mol
LogP0.86
Rot. Bonds

About 2,2,2-trifluoro-1-morpholin-4-ylethanimine

2,2,2-trifluoro-1-morpholin-4-ylethanimine (PubChem CID 12864059) has the molecular formula C6H9F3N2O and a molecular weight of 182.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-morpholin-4-ylethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-morpholin-4-ylethanimine
PubChem CID12864059
Molecular FormulaC6H9F3N2O
Molecular Weight182.14 g/mol
Exact Mass182.07
IUPAC Name2,2,2-trifluoro-1-morpholin-4-ylethanimine
SMILES[H]/N=C(\N1CCOCC1)C(F)(F)F
InChIInChI=1S/C6H9F3N2O/c7-6(8,9)5(10)11-1-3-12-4-2-11/h10H,1-4H2/b10-5-
InChIKeyCKWKKRFJQDYVBM-YHYXMXQVSA-N
XLogP0.86
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-morpholin-4-ylethanimine?
The IUPAC name of 2,2,2-trifluoro-1-morpholin-4-ylethanimine (CID 12864059) is 2,2,2-trifluoro-1-morpholin-4-ylethanimine.
What is the SMILES notation for 2,2,2-trifluoro-1-morpholin-4-ylethanimine?
The canonical SMILES for 2,2,2-trifluoro-1-morpholin-4-ylethanimine is [H]/N=C(\N1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-morpholin-4-ylethanimine?
The InChIKey is CKWKKRFJQDYVBM-YHYXMXQVSA-N. The full InChI is InChI=1S/C6H9F3N2O/c7-6(8,9)5(10)11-1-3-12-4-2-11/h10H,1-4H2/b10-5-.
What are the key properties of 2,2,2-trifluoro-1-morpholin-4-ylethanimine?
2,2,2-trifluoro-1-morpholin-4-ylethanimine has a molecular weight of 182.14 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-morpholin-4-ylethanimine is sourced from PubChem (CID 12864059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).