1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine

C8H10F8N2 — CID 58716088

IUPAC1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine
SMILESCCN1C(F)(F)C(F)(F)N(CC)C(F)(F)C1(F)F
InChIInChI=1S/C8H10F8N2/c1-3-17-5(9,10)7(13,14)18(4-2)8(15,16)6(17,11)12/h3-4H2,1-2H3
InChIKeyAKDDBXFHDDIPTM-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.02
Rot. Bonds2

About 1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine

1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine (PubChem CID 58716088) has the molecular formula C8H10F8N2 and a molecular weight of 286.17 g/mol. Its IUPAC name is 1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine.

Molecular Properties

Compound Name1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine
PubChem CID58716088
Molecular FormulaC8H10F8N2
Molecular Weight286.17 g/mol
Exact Mass286.07
IUPAC Name1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine
SMILESCCN1C(F)(F)C(F)(F)N(CC)C(F)(F)C1(F)F
InChIInChI=1S/C8H10F8N2/c1-3-17-5(9,10)7(13,14)18(4-2)8(15,16)6(17,11)12/h3-4H2,1-2H3
InChIKeyAKDDBXFHDDIPTM-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine?
The IUPAC name of 1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine (CID 58716088) is 1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine.
What is the SMILES notation for 1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine?
The canonical SMILES for 1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine is CCN1C(F)(F)C(F)(F)N(CC)C(F)(F)C1(F)F.
What is the InChIKey of 1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine?
The InChIKey is AKDDBXFHDDIPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F8N2/c1-3-17-5(9,10)7(13,14)18(4-2)8(15,16)6(17,11)12/h3-4H2,1-2H3.
What are the key properties of 1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine?
1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine has a molecular weight of 286.17 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine is sourced from PubChem (CID 58716088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).