2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one

C10H8F10N2O2 — CID 621115

IUPAC2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one
SMILESO=C(N1CCN(C(=O)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H8F10N2O2/c11-7(12,9(15,16)17)5(23)21-1-2-22(4-3-21)6(24)8(13,14)10(18,19)20/h1-4H2
InChIKeyWQTVMEARTKHBJT-UHFFFAOYSA-N
MW378.17 g/mol
LogP2.05
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one

2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one (PubChem CID 621115) has the molecular formula C10H8F10N2O2 and a molecular weight of 378.17 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one
PubChem CID621115
Molecular FormulaC10H8F10N2O2
Molecular Weight378.17 g/mol
Exact Mass378.04
IUPAC Name2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one
SMILESO=C(N1CCN(C(=O)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H8F10N2O2/c11-7(12,9(15,16)17)5(23)21-1-2-22(4-3-21)6(24)8(13,14)10(18,19)20/h1-4H2
InChIKeyWQTVMEARTKHBJT-UHFFFAOYSA-N
XLogP2.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one (CID 621115) is 2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one is O=C(N1CCN(C(=O)C(F)(F)C(F)(F)F)CC1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one?
The InChIKey is WQTVMEARTKHBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F10N2O2/c11-7(12,9(15,16)17)5(23)21-1-2-22(4-3-21)6(24)8(13,14)10(18,19)20/h1-4H2.
What are the key properties of 2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one?
2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one has a molecular weight of 378.17 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-[4-(2,2,3,3,3-pentafluoropropanoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 621115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).