1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine

C8H8F8N2 — CID 118673887

IUPAC1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine
SMILESFC(F)=C(N1CCN(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C8H8F8N2/c9-6(10)5(7(11,12)13)17-1-3-18(4-2-17)8(14,15)16/h1-4H2
InChIKeySLJQUUVNMQZGEF-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.79
Rot. Bonds1

About 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine

1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine (PubChem CID 118673887) has the molecular formula C8H8F8N2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine
PubChem CID118673887
Molecular FormulaC8H8F8N2
Molecular Weight284.15 g/mol
Exact Mass284.06
IUPAC Name1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine
SMILESFC(F)=C(N1CCN(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C8H8F8N2/c9-6(10)5(7(11,12)13)17-1-3-18(4-2-17)8(14,15)16/h1-4H2
InChIKeySLJQUUVNMQZGEF-UHFFFAOYSA-N
XLogP2.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine (CID 118673887) is 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine is FC(F)=C(N1CCN(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine?
The InChIKey is SLJQUUVNMQZGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F8N2/c9-6(10)5(7(11,12)13)17-1-3-18(4-2-17)8(14,15)16/h1-4H2.
What are the key properties of 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine?
1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine has a molecular weight of 284.15 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 118673887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).