2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one

C11H13F9N2O2 — CID 3106090

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one
SMILESO=C(N1CCN(CCO)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F9N2O2/c12-8(13,9(14,15)10(16,17)11(18,19)20)7(24)22-3-1-21(2-4-22)5-6-23/h23H,1-6H2
InChIKeyJETFLGUZGGYZKP-UHFFFAOYSA-N
MW376.22 g/mol
LogP1.59
Rot. Bonds5

About 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one

2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one (PubChem CID 3106090) has the molecular formula C11H13F9N2O2 and a molecular weight of 376.22 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one
PubChem CID3106090
Molecular FormulaC11H13F9N2O2
Molecular Weight376.22 g/mol
Exact Mass376.08
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one
SMILESO=C(N1CCN(CCO)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H13F9N2O2/c12-8(13,9(14,15)10(16,17)11(18,19)20)7(24)22-3-1-21(2-4-22)5-6-23/h23H,1-6H2
InChIKeyJETFLGUZGGYZKP-UHFFFAOYSA-N
XLogP1.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]heptan-1-one;hydrochloride
CID 138396375
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]heptan-1-one
CID 138396376
4-Methyl-1-[4-(3,3,3-trifluoro-2-hydroxypropyl)piperazin-1-yl]pentan-1-one
CID 75507490
2,2,3,3,4,4,5,5,5-nonafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 58855449
2,2,3,3,4,4,5,5-octafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 58855467
2,2,4,4,5,5-hexafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 89623716
2,2,4,4,5,5,5-heptafluoro-N-methyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 89623852
4-Fluoro-1-(2-hydroxyethyl)piperidin-2-one
CID 152009886
2-[4-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-1-piperazinyl]ethanol
CID 3106084
1,1'-Piperazine-1,4-diylbis(2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one)
CID 5071268
2,2,3,3,4,4,5,5-Octafluoro-1-[4-(2,2,3,3,4,4,5,5-octafluoropentanoyl)piperazin-1-yl]pentan-1-one
CID 5071269
3,3,3-Trifluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43417262

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one (CID 3106090) is 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one is O=C(N1CCN(CCO)CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one?
The InChIKey is JETFLGUZGGYZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F9N2O2/c12-8(13,9(14,15)10(16,17)11(18,19)20)7(24)22-3-1-21(2-4-22)5-6-23/h23H,1-6H2.
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one?
2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one has a molecular weight of 376.22 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 3106090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).