(E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one

C16H19F2NO2 — CID 168720241

IUPAC(E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C/C=C/Cc1ccccc1
InChIInChI=1S/C16H19F2NO2/c17-16(18,15(20)19-10-12-21-13-11-19)9-5-4-8-14-6-2-1-3-7-14/h1-7H,8-13H2/b5-4+
InChIKeyIREZWGSNNYBQAF-SNAWJCMRSA-N
MW295.33 g/mol
LogP2.67
Rot. Bonds5

About (E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one

(E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one (PubChem CID 168720241) has the molecular formula C16H19F2NO2 and a molecular weight of 295.33 g/mol. Its IUPAC name is (E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one.

Molecular Properties

Compound Name(E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one
PubChem CID168720241
Molecular FormulaC16H19F2NO2
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name(E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one
SMILESO=C(N1CCOCC1)C(F)(F)C/C=C/Cc1ccccc1
InChIInChI=1S/C16H19F2NO2/c17-16(18,15(20)19-10-12-21-13-11-19)9-5-4-8-14-6-2-1-3-7-14/h1-7H,8-13H2/b5-4+
InChIKeyIREZWGSNNYBQAF-SNAWJCMRSA-N
XLogP2.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Morpholin-4-yl)-3-phenylpropan-1-one
CID 532825
2-(3-Methylphenyl)-1-morpholin-4-ylethanone
CID 6470636
4-(3-(4-Fluorophenyl)-2-propenoyl)morpholine
CID 923524
2-(4-Fluorophenyl)-1-(morpholin-4-yl)ethan-1-one
CID 798469
2-(2-Methylphenyl)-1-morpholin-4-ylethanone
CID 6468639
1-(Morpholin-4-yl)-4-phenylbutan-1-one
CID 288839
4-morpholin-4-yl-4-oxo-N-(2-phenylethyl)butanamide
CID 25162499
1-Morpholin-4-yl-2-phenylpropan-1-one
CID 11031349
1-(Morpholin-4-yl)-2-(4-pentylphenyl)ethanone
CID 3910107
4-[(3-Fluorophenyl)acetyl]morpholine
CID 839323
Morpholin-4-yl(2-phenylcyclopropyl)methanone
CID 2838073
N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide
CID 2906693

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one?
The IUPAC name of (E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one (CID 168720241) is (E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one.
What is the SMILES notation for (E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one?
The canonical SMILES for (E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one is O=C(N1CCOCC1)C(F)(F)C/C=C/Cc1ccccc1.
What is the InChIKey of (E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one?
The InChIKey is IREZWGSNNYBQAF-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H19F2NO2/c17-16(18,15(20)19-10-12-21-13-11-19)9-5-4-8-14-6-2-1-3-7-14/h1-7H,8-13H2/b5-4+.
What are the key properties of (E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one?
(E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one has a molecular weight of 295.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-1-morpholin-4-yl-6-phenylhex-4-en-1-one is sourced from PubChem (CID 168720241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).