(E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one

C8H12FNO — CID 146499067

IUPAC(E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/F)N1CCCCC1
InChIInChI=1S/C8H12FNO/c9-5-4-8(11)10-6-2-1-3-7-10/h4-5H,1-3,6-7H2/b5-4+
InChIKeyJTTDVSFYMYSFGW-SNAWJCMRSA-N
MW157.19 g/mol
LogP1.48
Rot. Bonds1

About (E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one

(E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 146499067) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one
PubChem CID146499067
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one
SMILESO=C(/C=C/F)N1CCCCC1
InChIInChI=1S/C8H12FNO/c9-5-4-8(11)10-6-2-1-3-7-10/h4-5H,1-3,6-7H2/b5-4+
InChIKeyJTTDVSFYMYSFGW-SNAWJCMRSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one (CID 146499067) is (E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one is O=C(/C=C/F)N1CCCCC1.
What is the InChIKey of (E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is JTTDVSFYMYSFGW-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H12FNO/c9-5-4-8(11)10-6-2-1-3-7-10/h4-5H,1-3,6-7H2/b5-4+.
What are the key properties of (E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one?
(E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 157.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 146499067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).