(E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one

C10H15F2NO — CID 90211808

IUPAC(E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one
SMILESCC(=O)/C=C/CN1CCCC(F)(F)C1
InChIInChI=1S/C10H15F2NO/c1-9(14)4-2-6-13-7-3-5-10(11,12)8-13/h2,4H,3,5-8H2,1H3/b4-2+
InChIKeyPIXXNOBDEMZDNM-DUXPYHPUSA-N
MW203.23 g/mol
LogP1.86
Rot. Bonds3

About (E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one

(E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one (PubChem CID 90211808) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is (E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one
PubChem CID90211808
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name(E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one
SMILESCC(=O)/C=C/CN1CCCC(F)(F)C1
InChIInChI=1S/C10H15F2NO/c1-9(14)4-2-6-13-7-3-5-10(11,12)8-13/h2,4H,3,5-8H2,1H3/b4-2+
InChIKeyPIXXNOBDEMZDNM-DUXPYHPUSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one?
The IUPAC name of (E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one (CID 90211808) is (E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one.
What is the SMILES notation for (E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one?
The canonical SMILES for (E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one is CC(=O)/C=C/CN1CCCC(F)(F)C1.
What is the InChIKey of (E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one?
The InChIKey is PIXXNOBDEMZDNM-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-9(14)4-2-6-13-7-3-5-10(11,12)8-13/h2,4H,3,5-8H2,1H3/b4-2+.
What are the key properties of (E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one?
(E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one has a molecular weight of 203.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(3,3-difluoropiperidin-1-yl)pent-3-en-2-one is sourced from PubChem (CID 90211808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).