1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine

C8H13F3N2 — CID 129207514

IUPAC1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine
SMILESC=C(F)C(F)(F)N1CCN(C)CC1
InChIInChI=1S/C8H13F3N2/c1-7(9)8(10,11)13-5-3-12(2)4-6-13/h1,3-6H2,2H3
InChIKeyJUWRLYZWJGSGKF-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.31
Rot. Bonds2

About 1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine

1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine (PubChem CID 129207514) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine
PubChem CID129207514
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine
SMILESC=C(F)C(F)(F)N1CCN(C)CC1
InChIInChI=1S/C8H13F3N2/c1-7(9)8(10,11)13-5-3-12(2)4-6-13/h1,3-6H2,2H3
InChIKeyJUWRLYZWJGSGKF-UHFFFAOYSA-N
XLogP1.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.31
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-(3,3,3-trifluoropropyl)piperazine
CID 57639720
1-(2-Methylprop-2-enyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 90245436
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-4-(trifluoromethyl)piperazine
CID 118673892
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-(1,1,1,2,3-Pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
CID 129207512
1-Methyl-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine
CID 129207513
1-[1,1-Difluoro-2-(trifluoromethyl)prop-2-enyl]-4-methylpiperazine
CID 129207516
1-methyl-4-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine
CID 129207755
1-(1,2-Difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine
CID 129207791
1-(1,2-Difluoroprop-2-enyl)-4-methylpiperazine
CID 129207808
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]-4-methylpiperazine
CID 129207812

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine?
The IUPAC name of 1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine (CID 129207514) is 1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine.
What is the SMILES notation for 1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine?
The canonical SMILES for 1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine is C=C(F)C(F)(F)N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine?
The InChIKey is JUWRLYZWJGSGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-7(9)8(10,11)13-5-3-12(2)4-6-13/h1,3-6H2,2H3.
What are the key properties of 1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine?
1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine has a molecular weight of 194.20 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1,1,2-trifluoroprop-2-enyl)piperazine is sourced from PubChem (CID 129207514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).