2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

C11H18F2N2O2 — CID 103600734

IUPAC2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(C(F)F)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H18F2N2O2/c12-10(13)11(16)15-5-3-14(4-6-15)8-9-2-1-7-17-9/h9-10H,1-8H2
InChIKeyFFCGVKZBDBFVNT-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.57
Rot. Bonds3

About 2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 103600734) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID103600734
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(C(F)F)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C11H18F2N2O2/c12-10(13)11(16)15-5-3-14(4-6-15)8-9-2-1-7-17-9/h9-10H,1-8H2
InChIKeyFFCGVKZBDBFVNT-UHFFFAOYSA-N
XLogP0.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (CID 103600734) is 2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is O=C(C(F)F)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is FFCGVKZBDBFVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c12-10(13)11(16)15-5-3-14(4-6-15)8-9-2-1-7-17-9/h9-10H,1-8H2.
What are the key properties of 2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 248.27 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 103600734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).