1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone

C15H19F2NO2 — CID 6470035

IUPAC1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCCCCCC1
InChIInChI=1S/C15H19F2NO2/c16-12-6-7-14(13(17)10-12)20-11-15(19)18-8-4-2-1-3-5-9-18/h6-7,10H,1-5,8-9,11H2
InChIKeyCRGIPGVPELJYDI-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.14
Rot. Bonds3

About 1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone

1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone (PubChem CID 6470035) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone
PubChem CID6470035
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCCCCCC1
InChIInChI=1S/C15H19F2NO2/c16-12-6-7-14(13(17)10-12)20-11-15(19)18-8-4-2-1-3-5-9-18/h6-7,10H,1-5,8-9,11H2
InChIKeyCRGIPGVPELJYDI-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.14
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-(2,4-difluorophenoxy)ethanone?
The IUPAC name of 1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone (CID 6470035) is 1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone.
What is the SMILES notation for 1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone?
The canonical SMILES for 1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone is O=C(COc1ccc(F)cc1F)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone?
The InChIKey is CRGIPGVPELJYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-12-6-7-14(13(17)10-12)20-11-15(19)18-8-4-2-1-3-5-9-18/h6-7,10H,1-5,8-9,11H2.
What are the key properties of 1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone?
1-(azocan-1-yl)-2-(2,4-difluorophenoxy)ethanone has a molecular weight of 283.32 g/mol, XLogP of 3.14, 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-(2,4-difluorophenoxy)ethanone is sourced from PubChem (CID 6470035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).