1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine

C9H9F9N2 — CID 129271800

IUPAC1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine
SMILESF/C=C(\C(F)(F)F)C(F)(F)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C9H9F9N2/c10-5-6(7(11,12)13)8(14,15)19-1-3-20(4-2-19)9(16,17)18/h5H,1-4H2/b6-5+
InChIKeyOWDQJULHVHMBOH-AATRIKPKSA-N
MW316.17 g/mol
LogP3.13
Rot. Bonds2

About 1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine

1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine (PubChem CID 129271800) has the molecular formula C9H9F9N2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine
PubChem CID129271800
Molecular FormulaC9H9F9N2
Molecular Weight316.17 g/mol
Exact Mass316.06
IUPAC Name1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine
SMILESF/C=C(\C(F)(F)F)C(F)(F)N1CCN(C(F)(F)F)CC1
InChIInChI=1S/C9H9F9N2/c10-5-6(7(11,12)13)8(14,15)19-1-3-20(4-2-19)9(16,17)18/h5H,1-4H2/b6-5+
InChIKeyOWDQJULHVHMBOH-AATRIKPKSA-N
XLogP3.13
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 53.13
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-(2-Methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 90245436
1-[1,2-Difluoro-2-(trifluoromethyl)but-3-enyl]-4-(trifluoromethyl)piperazine
CID 124118223
1-(Trifluoromethyl)-4-(1,2,2-trifluoro-3-methylbut-3-enyl)piperazine
CID 124118227
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine
CID 129207493
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-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-4-methylpiperazine
CID 129207516
1-(1,2-Difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine
CID 129207791
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine
CID 129207798
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]-4-methylpiperazine
CID 129207812
1-(1,1,2,3,3-Pentafluoroprop-2-enyl)-4-(trifluoromethyl)piperazine
CID 129271427
1-[1,1,3,3-Tetrafluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperazine
CID 129271750

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine?
The IUPAC name of 1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine (CID 129271800) is 1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine is F/C=C(\C(F)(F)F)C(F)(F)N1CCN(C(F)(F)F)CC1.
What is the InChIKey of 1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine?
The InChIKey is OWDQJULHVHMBOH-AATRIKPKSA-N. The full InChI is InChI=1S/C9H9F9N2/c10-5-6(7(11,12)13)8(14,15)19-1-3-20(4-2-19)9(16,17)18/h5H,1-4H2/b6-5+.
What are the key properties of 1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine?
1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine has a molecular weight of 316.17 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-4-[(Z)-1,1,3-trifluoro-2-(trifluoromethyl)prop-2-enyl]piperazine is sourced from PubChem (CID 129271800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).