2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one

C8H11F5N2O — CID 10105941

IUPAC2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C8H11F5N2O/c1-14-2-4-15(5-3-14)6(16)7(9,10)8(11,12)13/h2-5H2,1H3
InChIKeySWEUZUYFAIQWGA-UHFFFAOYSA-N
MW246.18 g/mol
LogP0.96
Rot. Bonds1

About 2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one

2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 10105941) has the molecular formula C8H11F5N2O and a molecular weight of 246.18 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID10105941
Molecular FormulaC8H11F5N2O
Molecular Weight246.18 g/mol
Exact Mass246.08
IUPAC Name2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one
SMILESCN1CCN(C(=O)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C8H11F5N2O/c1-14-2-4-15(5-3-14)6(16)7(9,10)8(11,12)13/h2-5H2,1H3
InChIKeySWEUZUYFAIQWGA-UHFFFAOYSA-N
XLogP0.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.18
LogP ≤ 50.96
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-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one (CID 10105941) is 2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one is CN1CCN(C(=O)C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is SWEUZUYFAIQWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F5N2O/c1-14-2-4-15(5-3-14)6(16)7(9,10)8(11,12)13/h2-5H2,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one?
2,2,3,3,3-pentafluoro-1-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 246.18 g/mol, XLogP of 0.96, 1 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-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 10105941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).