1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one

C16H20FNO2 — CID 45200936

IUPAC1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C16H20FNO2/c1-2-3-7-16(19)18-8-9-20-15(12-18)11-13-5-4-6-14(17)10-13/h2,4-6,10,15H,1,3,7-9,11-12H2
InChIKeyGSKKKFASPUBMRM-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.56
Rot. Bonds5

About 1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one

1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one (PubChem CID 45200936) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one
PubChem CID45200936
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCOC(Cc2cccc(F)c2)C1
InChIInChI=1S/C16H20FNO2/c1-2-3-7-16(19)18-8-9-20-15(12-18)11-13-5-4-6-14(17)10-13/h2,4-6,10,15H,1,3,7-9,11-12H2
InChIKeyGSKKKFASPUBMRM-UHFFFAOYSA-N
XLogP2.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.56
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-(4-Fluorophenyl)-1-(morpholin-4-yl)ethan-1-one
CID 798469
1-(Morpholin-4-yl)-4-phenylbutan-1-one
CID 288839
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 5192579
4-[(3-Fluorophenyl)acetyl]morpholine
CID 839323
1-(Piperidin-1-yl)propan-2-yl 3-phenylpropanoate
CID 2930161
Piperidine, 1-(2-(phenethyloxy)phenyl)-
CID 213757
2-(3-Fluorophenyl)-1-{1-oxa-9-azaspiro[5.5]undecan-9-YL}ethan-1-one
CID 110203850
2,2-Dimethyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728326
4-[(2-Fluorophenyl)acetyl]morpholine
CID 25639235
2,4-Dibenzyl-morpholin-3-one
CID 10468932
Morpholine, 2,5-dimethyl-3-phenyl-4-(2-propylvaleryl)-
CID 3064263

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one?
The IUPAC name of 1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one (CID 45200936) is 1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one?
The canonical SMILES for 1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one is C=CCCC(=O)N1CCOC(Cc2cccc(F)c2)C1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one?
The InChIKey is GSKKKFASPUBMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-2-3-7-16(19)18-8-9-20-15(12-18)11-13-5-4-6-14(17)10-13/h2,4-6,10,15H,1,3,7-9,11-12H2.
What are the key properties of 1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one?
1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one has a molecular weight of 277.34 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]pent-4-en-1-one is sourced from PubChem (CID 45200936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).