1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone

C15H20FNO2 — CID 6466266

IUPAC1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCCCCCC1
InChIInChI=1S/C15H20FNO2/c16-13-6-8-14(9-7-13)19-12-15(18)17-10-4-2-1-3-5-11-17/h6-9H,1-5,10-12H2
InChIKeyLQGWOPOTJPNRHF-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.00
Rot. Bonds3

About 1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone

1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone (PubChem CID 6466266) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone
PubChem CID6466266
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCCCCCC1
InChIInChI=1S/C15H20FNO2/c16-13-6-8-14(9-7-13)19-12-15(18)17-10-4-2-1-3-5-11-17/h6-9H,1-5,10-12H2
InChIKeyLQGWOPOTJPNRHF-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone (CID 6466266) is 1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone is O=C(COc1ccc(F)cc1)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone?
The InChIKey is LQGWOPOTJPNRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-13-6-8-14(9-7-13)19-12-15(18)17-10-4-2-1-3-5-11-17/h6-9H,1-5,10-12H2.
What are the key properties of 1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone?
1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone has a molecular weight of 265.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 6466266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).