2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine

C8H3F13N2 — CID 122646583

IUPAC2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine
SMILESCN1C(F)(F)C(F)(F)N(/C(F)=C(\F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F13N2/c1-22-5(14,15)7(18,19)23(8(20,21)6(22,16)17)3(10)2(9)4(11,12)13/h1H3/b3-2-
InChIKeyKOQNSBVZZQOJKL-IHWYPQMZSA-N
MW374.10 g/mol
LogP4.28
Rot. Bonds1

About 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine

2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine (PubChem CID 122646583) has the molecular formula C8H3F13N2 and a molecular weight of 374.10 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine.

Molecular Properties

Compound Name2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine
PubChem CID122646583
Molecular FormulaC8H3F13N2
Molecular Weight374.10 g/mol
Exact Mass374.01
IUPAC Name2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine
SMILESCN1C(F)(F)C(F)(F)N(/C(F)=C(\F)C(F)(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C8H3F13N2/c1-22-5(14,15)7(18,19)23(8(20,21)6(22,16)17)3(10)2(9)4(11,12)13/h1H3/b3-2-
InChIKeyKOQNSBVZZQOJKL-IHWYPQMZSA-N
XLogP4.28
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.10
LogP ≤ 54.28
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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Related Compounds

2,2,3,3,5,5,6,6-octafluoro-1-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine
CID 14474396
2,2,3,3,5,5,6,6-Octafluoro-1-methyl-4-(1,2,2-trifluoroethenyl)piperazine
CID 88606285
2,2,3,3,5,5,6,6-Octafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enyl)-4-(trifluoromethyl)piperazine
CID 122636109
2,2,3,3,5,5,6,6-Octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-(1,2,3,3,3-pentafluoroprop-1-enyl)piperazine
CID 129188952
1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine
CID 129207755
2,2,3,3,5,5,6,6-octafluoro-1-(1,1,2,2,2-pentafluoroethyl)-4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine
CID 134520179
2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(Z)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine
CID 173654219

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine?
The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine (CID 122646583) is 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine.
What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine?
The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine is CN1C(F)(F)C(F)(F)N(/C(F)=C(\F)C(F)(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-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine?
The InChIKey is KOQNSBVZZQOJKL-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H3F13N2/c1-22-5(14,15)7(18,19)23(8(20,21)6(22,16)17)3(10)2(9)4(11,12)13/h1H3/b3-2-.
What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine?
2,2,3,3,5,5,6,6-octafluoro-1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine has a molecular weight of 374.10 g/mol, XLogP of 4.28, 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-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine is sourced from PubChem (CID 122646583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).