(E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one

C10H14F3NO3 — CID 56965667

IUPAC(E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one
SMILESCCO/C(=C/C(=O)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C10H14F3NO3/c1-2-17-9(7-8(15)10(11,12)13)14-3-5-16-6-4-14/h7H,2-6H2,1H3/b9-7+
InChIKeyZRZIPUTWHZAYAJ-VQHVLOKHSA-N
MW253.22 g/mol
LogP1.33
Rot. Bonds4

About (E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one

(E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one (PubChem CID 56965667) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is (E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one.

Molecular Properties

Compound Name(E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one
PubChem CID56965667
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name(E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one
SMILESCCO/C(=C/C(=O)C(F)(F)F)N1CCOCC1
InChIInChI=1S/C10H14F3NO3/c1-2-17-9(7-8(15)10(11,12)13)14-3-5-16-6-4-14/h7H,2-6H2,1H3/b9-7+
InChIKeyZRZIPUTWHZAYAJ-VQHVLOKHSA-N
XLogP1.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-ethoxy-1,3,3,3-tetrafluoroprop-1-enyl]morpholine
CID 145002198
diethyl 2-morpholin-4-ylbut-2-enedioate
CID 54498414
ethyl 1,4-oxazepane-4-carboxylate
CID 62066456
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
(Z)-4-(diethylamino)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
CID 124647789
(3-ethoxy-3-oxoprop-1-enyl) morpholine-4-carboxylate
CID 144930125
ethyl 3-morpholin-4-yl-3-sulfanylidenepropanoate
CID 131855286
ethyl 4-morpholin-4-yl-2,4-dioxobutanoate
CID 86682312
[(2S)-1-ethoxy-1-oxopropan-2-yl] morpholine-4-carboxylate
CID 90246484
(3-ethoxy-3-oxopropyl) morpholine-4-carboxylate
CID 118111278
diethyl 2-(morpholine-4-carbonylamino)propanedioate
CID 79151888
ethyl 4-morpholin-4-yl-4-sulfanylidenebutanoate
CID 102474197

Frequently Asked Questions

What is the IUPAC name of (E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one?
The IUPAC name of (E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one (CID 56965667) is (E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one.
What is the SMILES notation for (E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one?
The canonical SMILES for (E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one is CCO/C(=C/C(=O)C(F)(F)F)N1CCOCC1.
What is the InChIKey of (E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one?
The InChIKey is ZRZIPUTWHZAYAJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-2-17-9(7-8(15)10(11,12)13)14-3-5-16-6-4-14/h7H,2-6H2,1H3/b9-7+.
What are the key properties of (E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one?
(E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one has a molecular weight of 253.22 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-ethoxy-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one is sourced from PubChem (CID 56965667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).