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

C9H11F7N2 — CID 129207763

IUPAC1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
SMILESC=C(F)C(N1CCN(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C9H11F7N2/c1-6(10)7(8(11,12)13)17-2-4-18(5-3-17)9(14,15)16/h7H,1-5H2
InChIKeyFCUXJUCIACLCNG-UHFFFAOYSA-N
MW280.19 g/mol
LogP2.54
Rot. Bonds2

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

1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine (PubChem CID 129207763) has the molecular formula C9H11F7N2 and a molecular weight of 280.19 g/mol. Its IUPAC name is 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
PubChem CID129207763
Molecular FormulaC9H11F7N2
Molecular Weight280.19 g/mol
Exact Mass280.08
IUPAC Name1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
SMILESC=C(F)C(N1CCN(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C9H11F7N2/c1-6(10)7(8(11,12)13)17-2-4-18(5-3-17)9(14,15)16/h7H,1-5H2
InChIKeyFCUXJUCIACLCNG-UHFFFAOYSA-N
XLogP2.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 52.54
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-(1,1,1,3,3-Pentafluoropent-4-en-2-yl)-4-(trifluoromethyl)piperazine
CID 124118206
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-Methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine
CID 129207765
1-(1,2-Difluoroprop-2-enyl)-4-(trifluoromethyl)piperazine
CID 129207791
1-(1,1,1,2,3,4,4-Heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
CID 129271743
1-Fluoro-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)piperazine
CID 146426182
1-(2,3-Difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
CID 146426184
1-(2,3-Difluorobut-3-en-2-yl)-4-fluoropiperazine
CID 146426188
1-Fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine
CID 146426211
1-[2-Fluoro-3-(trifluoromethyl)but-3-en-2-yl]-4-(trifluoromethyl)piperazine
CID 163653700

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine (CID 129207763) is 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine is C=C(F)C(N1CCN(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine?
The InChIKey is FCUXJUCIACLCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7N2/c1-6(10)7(8(11,12)13)17-2-4-18(5-3-17)9(14,15)16/h7H,1-5H2.
What are the key properties of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine?
1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine has a molecular weight of 280.19 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 129207763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).