1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone

C8H10F4N2O2 — CID 787902

IUPAC1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone
SMILESO=C(C(F)F)N1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C8H10F4N2O2/c9-5(10)7(15)13-1-2-14(4-3-13)8(16)6(11)12/h5-6H,1-4H2
InChIKeyUIMPEUKYJDMHCT-UHFFFAOYSA-N
MW242.17 g/mol
LogP0.19
Rot. Bonds2

About 1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone

1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone (PubChem CID 787902) has the molecular formula C8H10F4N2O2 and a molecular weight of 242.17 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone.

Molecular Properties

Compound Name1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone
PubChem CID787902
Molecular FormulaC8H10F4N2O2
Molecular Weight242.17 g/mol
Exact Mass242.07
IUPAC Name1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone
SMILESO=C(C(F)F)N1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C8H10F4N2O2/c9-5(10)7(15)13-1-2-14(4-3-13)8(16)6(11)12/h5-6H,1-4H2
InChIKeyUIMPEUKYJDMHCT-UHFFFAOYSA-N
XLogP0.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone?
The IUPAC name of 1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone (CID 787902) is 1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone.
What is the SMILES notation for 1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone?
The canonical SMILES for 1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone is O=C(C(F)F)N1CCN(C(=O)C(F)F)CC1.
What is the InChIKey of 1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone?
The InChIKey is UIMPEUKYJDMHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N2O2/c9-5(10)7(15)13-1-2-14(4-3-13)8(16)6(11)12/h5-6H,1-4H2.
What are the key properties of 1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone?
1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone has a molecular weight of 242.17 g/mol, XLogP of 0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroacetyl)piperazin-1-yl]-2,2-difluoroethanone is sourced from PubChem (CID 787902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).