2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone

C13H15F2NO — CID 22248491

IUPAC2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone
SMILESO=C(Cc1ccccc1F)C1(F)CCNCC1
InChIInChI=1S/C13H15F2NO/c14-11-4-2-1-3-10(11)9-12(17)13(15)5-7-16-8-6-13/h1-4,16H,5-9H2
InChIKeyOJGHCGAQJMZHFA-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone

2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone (PubChem CID 22248491) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone
PubChem CID22248491
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC Name2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone
SMILESO=C(Cc1ccccc1F)C1(F)CCNCC1
InChIInChI=1S/C13H15F2NO/c14-11-4-2-1-3-10(11)9-12(17)13(15)5-7-16-8-6-13/h1-4,16H,5-9H2
InChIKeyOJGHCGAQJMZHFA-UHFFFAOYSA-N
XLogP2.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone (CID 22248491) is 2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone is O=C(Cc1ccccc1F)C1(F)CCNCC1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone?
The InChIKey is OJGHCGAQJMZHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-11-4-2-1-3-10(11)9-12(17)13(15)5-7-16-8-6-13/h1-4,16H,5-9H2.
What are the key properties of 2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone?
2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone has a molecular weight of 239.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(4-fluoropiperidin-4-yl)ethanone is sourced from PubChem (CID 22248491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).