1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine

C8H8F8N2 — CID 118673892

IUPAC1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine
SMILESF/C(=C(/F)C(F)(F)F)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C8H8F8N2/c9-5(7(11,12)13)6(10)17-1-3-18(4-2-17)8(14,15)16/h1-4H2/b6-5-
InChIKeyBEVULBMVXDQAFO-WAYWQWQTSA-N
MW284.15 g/mol
LogP2.79
Rot. Bonds1

About 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine

1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine (PubChem CID 118673892) has the molecular formula C8H8F8N2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine
PubChem CID118673892
Molecular FormulaC8H8F8N2
Molecular Weight284.15 g/mol
Exact Mass284.06
IUPAC Name1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine
SMILESF/C(=C(/F)C(F)(F)F)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C8H8F8N2/c9-5(7(11,12)13)6(10)17-1-3-18(4-2-17)8(14,15)16/h1-4H2/b6-5-
InChIKeyBEVULBMVXDQAFO-WAYWQWQTSA-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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Related Compounds

1-Methyl-4-(2,2,3,3,3-pentafluoropropyl)piperazine
CID 59648775
1-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine
CID 118673887
1-(1,2,2-Trifluoroethenyl)-4-(trifluoromethyl)piperazine
CID 121241188
1-(1-Fluoroethenyl)-4-(trifluoromethyl)piperazine
CID 124113788
1-[(E)-1,2-difluoroethenyl]-4-(trifluoromethyl)piperazine
CID 124113789
1-[(Z)-1,3,3,3-tetrafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine
CID 124113899
1-(Trifluoromethyl)-4-(3,3,3-trifluoroprop-1-en-2-yl)piperazine
CID 124113936
1-[(Z)-1,3,3,3-tetrafluoroprop-1-en-2-yl]-4-(trifluoromethyl)piperazine
CID 124113941
1-(1,1-Difluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine
CID 124113943
1-(Trifluoromethyl)-4-(1,1,2-trifluoroprop-2-enyl)piperazine
CID 129207510
1-Methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine
CID 129207514
1-Methyl-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)piperazine
CID 129207747

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine (CID 118673892) is 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine is F/C(=C(/F)C(F)(F)F)N1CCN(C(F)(F)F)CC1.
What is the InChIKey of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine?
The InChIKey is BEVULBMVXDQAFO-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H8F8N2/c9-5(7(11,12)13)6(10)17-1-3-18(4-2-17)8(14,15)16/h1-4H2/b6-5-.
What are the key properties of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine?
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-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-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 118673892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).