1-(2-fluoroethyl)piperidin-4-one

C7H12FNO — CID 80694554

IUPAC1-(2-fluoroethyl)piperidin-4-one
SMILESO=C1CCN(CCF)CC1
InChIInChI=1S/C7H12FNO/c8-3-6-9-4-1-7(10)2-5-9/h1-6H2
InChIKeyWLIKSPZTZNRTRZ-UHFFFAOYSA-N
MW145.18 g/mol
LogP0.62
Rot. Bonds2

About 1-(2-fluoroethyl)piperidin-4-one

1-(2-fluoroethyl)piperidin-4-one (PubChem CID 80694554) has the molecular formula C7H12FNO and a molecular weight of 145.18 g/mol. Its IUPAC name is 1-(2-fluoroethyl)piperidin-4-one.

Molecular Properties

Compound Name1-(2-fluoroethyl)piperidin-4-one
PubChem CID80694554
Molecular FormulaC7H12FNO
Molecular Weight145.18 g/mol
Exact Mass145.09
IUPAC Name1-(2-fluoroethyl)piperidin-4-one
SMILESO=C1CCN(CCF)CC1
InChIInChI=1S/C7H12FNO/c8-3-6-9-4-1-7(10)2-5-9/h1-6H2
InChIKeyWLIKSPZTZNRTRZ-UHFFFAOYSA-N
XLogP0.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)piperidin-4-one?
The IUPAC name of 1-(2-fluoroethyl)piperidin-4-one (CID 80694554) is 1-(2-fluoroethyl)piperidin-4-one.
What is the SMILES notation for 1-(2-fluoroethyl)piperidin-4-one?
The canonical SMILES for 1-(2-fluoroethyl)piperidin-4-one is O=C1CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)piperidin-4-one?
The InChIKey is WLIKSPZTZNRTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO/c8-3-6-9-4-1-7(10)2-5-9/h1-6H2.
What are the key properties of 1-(2-fluoroethyl)piperidin-4-one?
1-(2-fluoroethyl)piperidin-4-one has a molecular weight of 145.18 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)piperidin-4-one is sourced from PubChem (CID 80694554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).