1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone

C18H20FNO2 — CID 139028925

IUPAC1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1C2CCC1CC(=C1CC1)C2
InChIInChI=1S/C18H20FNO2/c19-14-3-7-17(8-4-14)22-11-18(21)20-15-5-6-16(20)10-13(9-15)12-1-2-12/h3-4,7-8,15-16H,1-2,5-6,9-11H2
InChIKeyUNJPQMZEYSOKRK-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.45
Rot. Bonds3

About 1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone

1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone (PubChem CID 139028925) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone
PubChem CID139028925
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1C2CCC1CC(=C1CC1)C2
InChIInChI=1S/C18H20FNO2/c19-14-3-7-17(8-4-14)22-11-18(21)20-15-5-6-16(20)10-13(9-15)12-1-2-12/h3-4,7-8,15-16H,1-2,5-6,9-11H2
InChIKeyUNJPQMZEYSOKRK-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.45
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

2-Phenoxy-1-(pyrrolidin-1-yl)ethan-1-one
CID 910270
1-(4-Benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 887582
1-[(4-Fluorophenoxy)acetyl]azocane
CID 6466266
2-(4-Fluorophenoxy)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2927893
N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
CID 45265527
1-[(2-Fluorophenoxy)acetyl]-4-methylpiperidine
CID 806175
1-[(4-Fluorophenoxy)acetyl]-2-methylpiperidine
CID 2928410
1-[(2-Fluorophenoxy)acetyl]-2-methylpiperidine
CID 2928811
N-Methyl-N-(2-methyl-1-pyrrolidin-1-ylmethyl-propyl)-2-phenoxy-acetamide
CID 44337482
N-cyclohexyl-N-ethyl-2-phenoxyacetamide
CID 670248
1-(2-Ethylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 3153081
1-(Azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone
CID 6470035

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone (CID 139028925) is 1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone is O=C(COc1ccc(F)cc1)N1C2CCC1CC(=C1CC1)C2.
What is the InChIKey of 1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone?
The InChIKey is UNJPQMZEYSOKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c19-14-3-7-17(8-4-14)22-11-18(21)20-15-5-6-16(20)10-13(9-15)12-1-2-12/h3-4,7-8,15-16H,1-2,5-6,9-11H2.
What are the key properties of 1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone?
1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone has a molecular weight of 301.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 139028925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).