1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone

C13H18F2N2O2 — CID 136570996

IUPAC1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone
SMILESCC(F)(F)CN1CCN(C(=O)Cc2ccco2)CC1
InChIInChI=1S/C13H18F2N2O2/c1-13(14,15)10-16-4-6-17(7-5-16)12(18)9-11-3-2-8-19-11/h2-3,8H,4-7,9-10H2,1H3
InChIKeyYKENWGOGABRGRO-UHFFFAOYSA-N
MW272.29 g/mol
LogP1.62
Rot. Bonds4

About 1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone

1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone (PubChem CID 136570996) has the molecular formula C13H18F2N2O2 and a molecular weight of 272.29 g/mol. Its IUPAC name is 1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone
PubChem CID136570996
Molecular FormulaC13H18F2N2O2
Molecular Weight272.29 g/mol
Exact Mass272.13
IUPAC Name1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone
SMILESCC(F)(F)CN1CCN(C(=O)Cc2ccco2)CC1
InChIInChI=1S/C13H18F2N2O2/c1-13(14,15)10-16-4-6-17(7-5-16)12(18)9-11-3-2-8-19-11/h2-3,8H,4-7,9-10H2,1H3
InChIKeyYKENWGOGABRGRO-UHFFFAOYSA-N
XLogP1.62
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone 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 1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone?
The IUPAC name of 1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone (CID 136570996) is 1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone is CC(F)(F)CN1CCN(C(=O)Cc2ccco2)CC1.
What is the InChIKey of 1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone?
The InChIKey is YKENWGOGABRGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2/c1-13(14,15)10-16-4-6-17(7-5-16)12(18)9-11-3-2-8-19-11/h2-3,8H,4-7,9-10H2,1H3.
What are the key properties of 1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone?
1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone has a molecular weight of 272.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoropropyl)piperazin-1-yl]-2-(furan-2-yl)ethanone is sourced from PubChem (CID 136570996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).