3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one

C9H11F2NO — CID 25057266

IUPAC3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one
SMILESO=C1C=C(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C9H11F2NO/c10-9(11)1-3-12(4-2-9)7-5-8(13)6-7/h5H,1-4,6H2
InChIKeyZSANJNHDAMCTFB-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.57
Rot. Bonds1

About 3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one

3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one (PubChem CID 25057266) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one
PubChem CID25057266
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one
SMILESO=C1C=C(N2CCC(F)(F)CC2)C1
InChIInChI=1S/C9H11F2NO/c10-9(11)1-3-12(4-2-9)7-5-8(13)6-7/h5H,1-4,6H2
InChIKeyZSANJNHDAMCTFB-UHFFFAOYSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-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 3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one (CID 25057266) is 3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one is O=C1C=C(N2CCC(F)(F)CC2)C1.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one?
The InChIKey is ZSANJNHDAMCTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-9(11)1-3-12(4-2-9)7-5-8(13)6-7/h5H,1-4,6H2.
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one?
3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one has a molecular weight of 187.19 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-1-yl)cyclobut-2-en-1-one is sourced from PubChem (CID 25057266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).