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

C7H12FNO — CID 91044731

IUPAC1-(2-fluoropiperidin-2-yl)ethanone
SMILESCC(=O)C1(F)CCCCN1
InChIInChI=1S/C7H12FNO/c1-6(10)7(8)4-2-3-5-9-7/h9H,2-5H2,1H3
InChIKeyQUKNMCJBNVZVKE-UHFFFAOYSA-N
MW145.18 g/mol
LogP1.01
Rot. Bonds1

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

1-(2-fluoropiperidin-2-yl)ethanone (PubChem CID 91044731) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(2-fluoropiperidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(2-fluoropiperidin-2-yl)ethanone
PubChem CID91044731
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-(2-fluoropiperidin-2-yl)ethanone
SMILESCC(=O)C1(F)CCCCN1
InChIInChI=1S/C7H12FNO/c1-6(10)7(8)4-2-3-5-9-7/h9H,2-5H2,1H3
InChIKeyQUKNMCJBNVZVKE-UHFFFAOYSA-N
XLogP1.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropiperidin-2-yl)ethanone?
The IUPAC name of 1-(2-fluoropiperidin-2-yl)ethanone (CID 91044731) is 1-(2-fluoropiperidin-2-yl)ethanone.
What is the SMILES notation for 1-(2-fluoropiperidin-2-yl)ethanone?
The canonical SMILES for 1-(2-fluoropiperidin-2-yl)ethanone is CC(=O)C1(F)CCCCN1.
What is the InChIKey of 1-(2-fluoropiperidin-2-yl)ethanone?
The InChIKey is QUKNMCJBNVZVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c1-6(10)7(8)4-2-3-5-9-7/h9H,2-5H2,1H3.
What are the key properties of 1-(2-fluoropiperidin-2-yl)ethanone?
1-(2-fluoropiperidin-2-yl)ethanone has a molecular weight of 145.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropiperidin-2-yl)ethanone is sourced from PubChem (CID 91044731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).