2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine

C7H3F11N2 — CID 88606285

IUPAC2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine
SMILESCN1C(F)(F)C(F)(F)N(C(F)=C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F11N2/c1-19-4(11,12)6(15,16)20(3(10)2(8)9)7(17,18)5(19,13)14/h1H3
InChIKeyCTYTURUYLRTVQC-UHFFFAOYSA-N
MW324.09 g/mol
LogP3.64
Rot. Bonds1

About 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine

2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine (PubChem CID 88606285) has the molecular formula C7H3F11N2 and a molecular weight of 324.09 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine
PubChem CID88606285
Molecular FormulaC7H3F11N2
Molecular Weight324.09 g/mol
Exact Mass324.01
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine
SMILESCN1C(F)(F)C(F)(F)N(C(F)=C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C7H3F11N2/c1-19-4(11,12)6(15,16)20(3(10)2(8)9)7(17,18)5(19,13)14/h1H3
InChIKeyCTYTURUYLRTVQC-UHFFFAOYSA-N
XLogP3.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 53.64
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-methyl-4-(1,2,2-trifluoroethenyl)piperazine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine (CID 88606285) is 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine is CN1C(F)(F)C(F)(F)N(C(F)=C(F)F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine?
The InChIKey is CTYTURUYLRTVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11N2/c1-19-4(11,12)6(15,16)20(3(10)2(8)9)7(17,18)5(19,13)14/h1H3.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine?
2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine has a molecular weight of 324.09 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine is sourced from PubChem (CID 88606285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).