1-(4-fluorophenyl)-3-(octylamino)propan-1-one

C17H26FNO — CID 10265629

IUPAC1-(4-fluorophenyl)-3-(octylamino)propan-1-one
SMILESCCCCCCCCNCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-2-3-4-5-6-7-13-19-14-12-17(20)15-8-10-16(18)11-9-15/h8-11,19H,2-7,12-14H2,1H3
InChIKeyMVYLVWBJSLSOGG-UHFFFAOYSA-N
MW279.40 g/mol
LogP4.35
Rot. Bonds11

About 1-(4-fluorophenyl)-3-(octylamino)propan-1-one

1-(4-fluorophenyl)-3-(octylamino)propan-1-one (PubChem CID 10265629) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(octylamino)propan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(octylamino)propan-1-one
PubChem CID10265629
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-(4-fluorophenyl)-3-(octylamino)propan-1-one
SMILESCCCCCCCCNCCC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H26FNO/c1-2-3-4-5-6-7-13-19-14-12-17(20)15-8-10-16(18)11-9-15/h8-11,19H,2-7,12-14H2,1H3
InChIKeyMVYLVWBJSLSOGG-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(octylamino)propan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(octylamino)propan-1-one (CID 10265629) is 1-(4-fluorophenyl)-3-(octylamino)propan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(octylamino)propan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(octylamino)propan-1-one is CCCCCCCCNCCC(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(octylamino)propan-1-one?
The InChIKey is MVYLVWBJSLSOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-2-3-4-5-6-7-13-19-14-12-17(20)15-8-10-16(18)11-9-15/h8-11,19H,2-7,12-14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(octylamino)propan-1-one?
1-(4-fluorophenyl)-3-(octylamino)propan-1-one has a molecular weight of 279.40 g/mol, XLogP of 4.35, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(octylamino)propan-1-one is sourced from PubChem (CID 10265629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).