2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one

C10H13F7N2O2 — CID 3106084

IUPAC2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
SMILESO=C(N1CCN(CCO)CC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7N2O2/c11-8(12,9(13,14)10(15,16)17)7(21)19-3-1-18(2-4-19)5-6-20/h20H,1-6H2
InChIKeyWDDYGONJPFQGJE-UHFFFAOYSA-N
MW326.21 g/mol
LogP0.96
Rot. Bonds4

About 2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one

2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one (PubChem CID 3106084) has the molecular formula C10H13F7N2O2 and a molecular weight of 326.21 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
PubChem CID3106084
Molecular FormulaC10H13F7N2O2
Molecular Weight326.21 g/mol
Exact Mass326.09
IUPAC Name2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one
SMILESO=C(N1CCN(CCO)CC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7N2O2/c11-8(12,9(13,14)10(15,16)17)7(21)19-3-1-18(2-4-19)5-6-20/h20H,1-6H2
InChIKeyWDDYGONJPFQGJE-UHFFFAOYSA-N
XLogP0.96
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one (CID 3106084) is 2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one is O=C(N1CCN(CCO)CC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one?
The InChIKey is WDDYGONJPFQGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7N2O2/c11-8(12,9(13,14)10(15,16)17)7(21)19-3-1-18(2-4-19)5-6-20/h20H,1-6H2.
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one?
2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one has a molecular weight of 326.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-1-[4-(2-hydroxyethyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 3106084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).