(E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one

C14H16FNO2 — CID 6510007

IUPAC(E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one
SMILESC/C(=C\C(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C14H16FNO2/c1-11(16-6-8-18-9-7-16)10-14(17)12-2-4-13(15)5-3-12/h2-5,10H,6-9H2,1H3/b11-10+
InChIKeyWDESLVHWODEUFZ-ZHACJKMWSA-N
MW249.29 g/mol
LogP2.24
Rot. Bonds3

About (E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one

(E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one (PubChem CID 6510007) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one
PubChem CID6510007
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name(E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one
SMILESC/C(=C\C(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C14H16FNO2/c1-11(16-6-8-18-9-7-16)10-14(17)12-2-4-13(15)5-3-12/h2-5,10H,6-9H2,1H3/b11-10+
InChIKeyWDESLVHWODEUFZ-ZHACJKMWSA-N
XLogP2.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-chlorophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 2290884
1-(4-bromophenyl)-3-morpholin-4-ylbut-2-en-1-one
CID 799118
ethanol;(E)-4-(4-fluorophenyl)-2-(morpholine-4-carbonyl)-4-oxobut-2-enenitrile
CID 21203093
1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82116829
3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
CID 146007688
4-morpholin-4-ylpent-3-en-2-one
CID 592427
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
(Z)-1-(4-fluorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]but-2-en-1-one
CID 20840783
(Z)-3-morpholin-4-ylbut-2-enamide
CID 70579814
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
2-[4-(4-fluorobenzoyl)phenoxy]-2-methyl-1-morpholin-4-ylpropan-1-one
CID 154646222
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CID 69455638

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one?
The IUPAC name of (E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one (CID 6510007) is (E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one?
The canonical SMILES for (E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one is C/C(=C\C(=O)c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one?
The InChIKey is WDESLVHWODEUFZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-11(16-6-8-18-9-7-16)10-14(17)12-2-4-13(15)5-3-12/h2-5,10H,6-9H2,1H3/b11-10+.
What are the key properties of (E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one?
(E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one has a molecular weight of 249.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-3-morpholin-4-ylbut-2-en-1-one is sourced from PubChem (CID 6510007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).