4-(3,3-difluorobutanoyl)piperazin-2-one

C8H12F2N2O2 — CID 130666948

IUPAC4-(3,3-difluorobutanoyl)piperazin-2-one
SMILESCC(F)(F)CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H12F2N2O2/c1-8(9,10)4-7(14)12-3-2-11-6(13)5-12/h2-5H2,1H3,(H,11,13)
InChIKeyWTMZJZWDFKGSCP-UHFFFAOYSA-N
MW206.19 g/mol
LogP-0.01
Rot. Bonds2

About 4-(3,3-difluorobutanoyl)piperazin-2-one

4-(3,3-difluorobutanoyl)piperazin-2-one (PubChem CID 130666948) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 4-(3,3-difluorobutanoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3,3-difluorobutanoyl)piperazin-2-one
PubChem CID130666948
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name4-(3,3-difluorobutanoyl)piperazin-2-one
SMILESCC(F)(F)CC(=O)N1CCNC(=O)C1
InChIInChI=1S/C8H12F2N2O2/c1-8(9,10)4-7(14)12-3-2-11-6(13)5-12/h2-5H2,1H3,(H,11,13)
InChIKeyWTMZJZWDFKGSCP-UHFFFAOYSA-N
XLogP-0.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutanoyl)piperazin-2-one?
The IUPAC name of 4-(3,3-difluorobutanoyl)piperazin-2-one (CID 130666948) is 4-(3,3-difluorobutanoyl)piperazin-2-one.
What is the SMILES notation for 4-(3,3-difluorobutanoyl)piperazin-2-one?
The canonical SMILES for 4-(3,3-difluorobutanoyl)piperazin-2-one is CC(F)(F)CC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(3,3-difluorobutanoyl)piperazin-2-one?
The InChIKey is WTMZJZWDFKGSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c1-8(9,10)4-7(14)12-3-2-11-6(13)5-12/h2-5H2,1H3,(H,11,13).
What are the key properties of 4-(3,3-difluorobutanoyl)piperazin-2-one?
4-(3,3-difluorobutanoyl)piperazin-2-one has a molecular weight of 206.19 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutanoyl)piperazin-2-one is sourced from PubChem (CID 130666948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).