(E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one

C8H10F3NO2 — CID 132518067

IUPAC(E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one
SMILESO=C(/C=C/C(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)2-1-7(13)12-3-5-14-6-4-12/h1-2H,3-6H2/b2-1+
InChIKeyIFABTUBCIJNZRR-OWOJBTEDSA-N
MW209.17 g/mol
LogP0.96
Rot. Bonds1

About (E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one

(E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one (PubChem CID 132518067) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one
PubChem CID132518067
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name(E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one
SMILESO=C(/C=C/C(F)(F)F)N1CCOCC1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)2-1-7(13)12-3-5-14-6-4-12/h1-2H,3-6H2/b2-1+
InChIKeyIFABTUBCIJNZRR-OWOJBTEDSA-N
XLogP0.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one?
The IUPAC name of (E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one (CID 132518067) is (E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one.
What is the SMILES notation for (E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one?
The canonical SMILES for (E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one is O=C(/C=C/C(F)(F)F)N1CCOCC1.
What is the InChIKey of (E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one?
The InChIKey is IFABTUBCIJNZRR-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)2-1-7(13)12-3-5-14-6-4-12/h1-2H,3-6H2/b2-1+.
What are the key properties of (E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one?
(E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one has a molecular weight of 209.17 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-1-morpholin-4-ylbut-2-en-1-one is sourced from PubChem (CID 132518067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).