(Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one

C14H14F3NO2 — CID 129293911

IUPAC(Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one
SMILESO=C(/C(=C\N1CCOCC1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)13(19)12(11-4-2-1-3-5-11)10-18-6-8-20-9-7-18/h1-5,10H,6-9H2/b12-10-
InChIKeyGXBXWAVODRKUNG-BENRWUELSA-N
MW285.26 g/mol
LogP2.49
Rot. Bonds3

About (Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one

(Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one (PubChem CID 129293911) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one
PubChem CID129293911
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name(Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one
SMILESO=C(/C(=C\N1CCOCC1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C14H14F3NO2/c15-14(16,17)13(19)12(11-4-2-1-3-5-11)10-18-6-8-20-9-7-18/h1-5,10H,6-9H2/b12-10-
InChIKeyGXBXWAVODRKUNG-BENRWUELSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 52.49
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

(Z)-3-bromo-1,1,1-trifluoro-4-morpholin-4-ylbut-3-en-2-one
CID 6064459
(E,2E)-4-morpholin-4-yl-3-phenyl-2-(phenylhydrazinylidene)but-3-enoic acid
CID 88828938
4-(2-phenylprop-1-enyl)morpholine
CID 85373526
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
CID 12845384
(Z)-1,1,1-trifluoro-4-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylbut-3-en-2-one
CID 134200060
(E)-4-(dimethylamino)-1,1,1-trifluoro-3-phenylbut-3-en-2-one
CID 132542566
(E,2Z)-2-[(4-methylphenyl)hydrazinylidene]-4-morpholin-4-yl-3-phenylbut-3-enoic acid
CID 21418474
N-(morpholin-4-ylmethylidene)benzamide
CID 71741109
benzoic acid;oxane
CID 158907979
4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione
CID 67647751
3,3,3-trifluoro-1-phenylpropane-1,2-dione;hydrate
CID 2781162
2,2-dibromo-1-morpholin-4-yl-3-phenylpropane-1,3-dione
CID 569666

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one?
The IUPAC name of (Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one (CID 129293911) is (Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one is O=C(/C(=C\N1CCOCC1)c1ccccc1)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one?
The InChIKey is GXBXWAVODRKUNG-BENRWUELSA-N. The full InChI is InChI=1S/C14H14F3NO2/c15-14(16,17)13(19)12(11-4-2-1-3-5-11)10-18-6-8-20-9-7-18/h1-5,10H,6-9H2/b12-10-.
What are the key properties of (Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one?
(Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one has a molecular weight of 285.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-morpholin-4-yl-3-phenylbut-3-en-2-one is sourced from PubChem (CID 129293911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).