3-fluoropiperidin-4-one

C5H8FNO — CID 25210511

IUPAC3-fluoropiperidin-4-one
SMILESO=C1CCNCC1F
InChIInChI=1S/C5H8FNO/c6-4-3-7-2-1-5(4)8/h4,7H,1-3H2
InChIKeyGYCGAPQMEYPDIJ-UHFFFAOYSA-N
MW117.12 g/mol
LogP-0.11
Rot. Bonds

About 3-fluoropiperidin-4-one

3-fluoropiperidin-4-one (PubChem CID 25210511) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 3-fluoropiperidin-4-one.

Molecular Properties

Compound Name3-fluoropiperidin-4-one
PubChem CID25210511
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name3-fluoropiperidin-4-one
SMILESO=C1CCNCC1F
InChIInChI=1S/C5H8FNO/c6-4-3-7-2-1-5(4)8/h4,7H,1-3H2
InChIKeyGYCGAPQMEYPDIJ-UHFFFAOYSA-N
XLogP-0.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropiperidin-4-one?
The IUPAC name of 3-fluoropiperidin-4-one (CID 25210511) is 3-fluoropiperidin-4-one.
What is the SMILES notation for 3-fluoropiperidin-4-one?
The canonical SMILES for 3-fluoropiperidin-4-one is O=C1CCNCC1F.
What is the InChIKey of 3-fluoropiperidin-4-one?
The InChIKey is GYCGAPQMEYPDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c6-4-3-7-2-1-5(4)8/h4,7H,1-3H2.
What are the key properties of 3-fluoropiperidin-4-one?
3-fluoropiperidin-4-one has a molecular weight of 117.12 g/mol, XLogP of -0.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropiperidin-4-one is sourced from PubChem (CID 25210511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).