2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine

C6H6F8N2 — CID 19025989

IUPAC2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine
SMILESCN1C(F)(F)C(F)(F)N(C)C(F)(F)C1(F)F
InChIInChI=1S/C6H6F8N2/c1-15-3(7,8)5(11,12)16(2)6(13,14)4(15,9)10/h1-2H3
InChIKeyNGWWLHOHNLYRKK-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.23
Rot. Bonds

About 2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine

2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine (PubChem CID 19025989) has the molecular formula C6H6F8N2 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine
PubChem CID19025989
Molecular FormulaC6H6F8N2
Molecular Weight258.11 g/mol
Exact Mass258.04
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine
SMILESCN1C(F)(F)C(F)(F)N(C)C(F)(F)C1(F)F
InChIInChI=1S/C6H6F8N2/c1-15-3(7,8)5(11,12)16(2)6(13,14)4(15,9)10/h1-2H3
InChIKeyNGWWLHOHNLYRKK-UHFFFAOYSA-N
XLogP2.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.23
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 2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine (CID 19025989) is 2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine is CN1C(F)(F)C(F)(F)N(C)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine?
The InChIKey is NGWWLHOHNLYRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8N2/c1-15-3(7,8)5(11,12)16(2)6(13,14)4(15,9)10/h1-2H3.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine?
2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine has a molecular weight of 258.11 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-1,4-dimethylpiperazine is sourced from PubChem (CID 19025989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).