1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine

C7H8F6N2 — CID 121241188

IUPAC1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine
SMILESFC(F)=C(F)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C7H8F6N2/c8-5(9)6(10)14-1-3-15(4-2-14)7(11,12)13/h1-4H2
InChIKeyQLQSSPWOGQSQHA-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.16
Rot. Bonds1

About 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine

1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine (PubChem CID 121241188) has the molecular formula C7H8F6N2 and a molecular weight of 234.14 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine
PubChem CID121241188
Molecular FormulaC7H8F6N2
Molecular Weight234.14 g/mol
Exact Mass234.06
IUPAC Name1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine
SMILESFC(F)=C(F)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C7H8F6N2/c8-5(9)6(10)14-1-3-15(4-2-14)7(11,12)13/h1-4H2
InChIKeyQLQSSPWOGQSQHA-UHFFFAOYSA-N
XLogP2.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.16
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-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine
CID 129207755
1-Methyl-4-(2,2,2-trifluoroethyl)piperazine
CID 23236212
CID 57541030
CID 57541030
1,4-Diethyl-2,2,3,3,5,5,6,6-octafluoropiperazine
CID 58716088
1-Methyl-4-(trifluoromethyl)piperazine
CID 59244644
1-Ethyl-4-(trifluoromethyl)piperazine
CID 68062475
1-(2,2-Difluoroethyl)-4-methylpiperazine
CID 76646739
1-Fluoro-4-(trifluoromethyl)piperazine
CID 91275895
1-Iodo-4-(2,2,2-trifluoroethyl)piperazine
CID 118612429
1-(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)-4-(trifluoromethyl)piperazine
CID 118673887
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine
CID 118673892
1-(1-Fluoroethenyl)-4-(trifluoromethyl)piperazine
CID 124113788

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine (CID 121241188) is 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine is FC(F)=C(F)N1CCN(C(F)(F)F)CC1.
What is the InChIKey of 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine?
The InChIKey is QLQSSPWOGQSQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6N2/c8-5(9)6(10)14-1-3-15(4-2-14)7(11,12)13/h1-4H2.
What are the key properties of 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine?
1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine has a molecular weight of 234.14 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethenyl)-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 121241188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).