1-fluoro-3-prop-2-enylpiperidin-2-one

C8H12FNO — CID 140743086

IUPAC1-fluoro-3-prop-2-enylpiperidin-2-one
SMILESC=CCC1CCCN(F)C1=O
InChIInChI=1S/C8H12FNO/c1-2-4-7-5-3-6-10(9)8(7)11/h2,7H,1,3-6H2
InChIKeyZYOKGVHXHUWLBJ-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.69
Rot. Bonds2

About 1-fluoro-3-prop-2-enylpiperidin-2-one

1-fluoro-3-prop-2-enylpiperidin-2-one (PubChem CID 140743086) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-fluoro-3-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name1-fluoro-3-prop-2-enylpiperidin-2-one
PubChem CID140743086
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name1-fluoro-3-prop-2-enylpiperidin-2-one
SMILESC=CCC1CCCN(F)C1=O
InChIInChI=1S/C8H12FNO/c1-2-4-7-5-3-6-10(9)8(7)11/h2,7H,1,3-6H2
InChIKeyZYOKGVHXHUWLBJ-UHFFFAOYSA-N
XLogP1.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-prop-2-enylpiperidin-2-one?
The IUPAC name of 1-fluoro-3-prop-2-enylpiperidin-2-one (CID 140743086) is 1-fluoro-3-prop-2-enylpiperidin-2-one.
What is the SMILES notation for 1-fluoro-3-prop-2-enylpiperidin-2-one?
The canonical SMILES for 1-fluoro-3-prop-2-enylpiperidin-2-one is C=CCC1CCCN(F)C1=O.
What is the InChIKey of 1-fluoro-3-prop-2-enylpiperidin-2-one?
The InChIKey is ZYOKGVHXHUWLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-2-4-7-5-3-6-10(9)8(7)11/h2,7H,1,3-6H2.
What are the key properties of 1-fluoro-3-prop-2-enylpiperidin-2-one?
1-fluoro-3-prop-2-enylpiperidin-2-one has a molecular weight of 157.19 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 140743086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).