1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one

C17H24FNO2 — CID 6467613

IUPAC1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one
SMILESCCC(Oc1ccc(F)cc1)C(=O)N1CCCCCCC1
InChIInChI=1S/C17H24FNO2/c1-2-16(21-15-10-8-14(18)9-11-15)17(20)19-12-6-4-3-5-7-13-19/h8-11,16H,2-7,12-13H2,1H3
InChIKeyBSRLTKSZEIBEJJ-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.78
Rot. Bonds4

About 1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one

1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one (PubChem CID 6467613) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one
PubChem CID6467613
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one
SMILESCCC(Oc1ccc(F)cc1)C(=O)N1CCCCCCC1
InChIInChI=1S/C17H24FNO2/c1-2-16(21-15-10-8-14(18)9-11-15)17(20)19-12-6-4-3-5-7-13-19/h8-11,16H,2-7,12-13H2,1H3
InChIKeyBSRLTKSZEIBEJJ-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2928410
1-[(2-Fluorophenoxy)acetyl]-2-methylpiperidine
CID 2928811
2-(2-fluorophenoxy)-N-(2-piperidin-1-ylethyl)propanamide
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2-(4-fluorophenoxy)-N-(tetrahydro-2-furanylmethyl)acetamide
CID 2937969
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Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one?
The IUPAC name of 1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one (CID 6467613) is 1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one.
What is the SMILES notation for 1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one?
The canonical SMILES for 1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one is CCC(Oc1ccc(F)cc1)C(=O)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one?
The InChIKey is BSRLTKSZEIBEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-2-16(21-15-10-8-14(18)9-11-15)17(20)19-12-6-4-3-5-7-13-19/h8-11,16H,2-7,12-13H2,1H3.
What are the key properties of 1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one?
1-(azocan-1-yl)-2-(4-fluorophenoxy)butan-1-one has a molecular weight of 293.38 g/mol, XLogP of 3.78, 4 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)butan-1-one is sourced from PubChem (CID 6467613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).