(3S)-3-fluoropiperidin-4-one

C5H8FNO — CID 38372293

IUPAC(3S)-3-fluoropiperidin-4-one
SMILESO=C1CCNC[C@@H]1F
InChIInChI=1S/C5H8FNO/c6-4-3-7-2-1-5(4)8/h4,7H,1-3H2/t4-/m0/s1
InChIKeyGYCGAPQMEYPDIJ-BYPYZUCNSA-N
MW117.12 g/mol
LogP-0.11
Rot. Bonds

About (3S)-3-fluoropiperidin-4-one

(3S)-3-fluoropiperidin-4-one (PubChem CID 38372293) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is (3S)-3-fluoropiperidin-4-one.

Molecular Properties

Compound Name(3S)-3-fluoropiperidin-4-one
PubChem CID38372293
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name(3S)-3-fluoropiperidin-4-one
SMILESO=C1CCNC[C@@H]1F
InChIInChI=1S/C5H8FNO/c6-4-3-7-2-1-5(4)8/h4,7H,1-3H2/t4-/m0/s1
InChIKeyGYCGAPQMEYPDIJ-BYPYZUCNSA-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 (3S)-3-fluoropiperidin-4-one?
The IUPAC name of (3S)-3-fluoropiperidin-4-one (CID 38372293) is (3S)-3-fluoropiperidin-4-one.
What is the SMILES notation for (3S)-3-fluoropiperidin-4-one?
The canonical SMILES for (3S)-3-fluoropiperidin-4-one is O=C1CCNC[C@@H]1F.
What is the InChIKey of (3S)-3-fluoropiperidin-4-one?
The InChIKey is GYCGAPQMEYPDIJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8FNO/c6-4-3-7-2-1-5(4)8/h4,7H,1-3H2/t4-/m0/s1.
What are the key properties of (3S)-3-fluoropiperidin-4-one?
(3S)-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 (3S)-3-fluoropiperidin-4-one is sourced from PubChem (CID 38372293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).