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

C9H10F8N2 — CID 129207512

IUPAC1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
SMILESC=C(F)C(F)(N1CCN(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C9H10F8N2/c1-6(10)7(11,8(12,13)14)18-2-4-19(5-3-18)9(15,16)17/h1-5H2
InChIKeyOYDLQTSOTWXHJK-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.84
Rot. Bonds2

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

1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine (PubChem CID 129207512) has the molecular formula C9H10F8N2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
PubChem CID129207512
Molecular FormulaC9H10F8N2
Molecular Weight298.18 g/mol
Exact Mass298.07
IUPAC Name1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
SMILESC=C(F)C(F)(N1CCN(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C9H10F8N2/c1-6(10)7(11,8(12,13)14)18-2-4-19(5-3-18)9(15,16)17/h1-5H2
InChIKeyOYDLQTSOTWXHJK-UHFFFAOYSA-N
XLogP2.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine (CID 129207512) is 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine is C=C(F)C(F)(N1CCN(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine?
The InChIKey is OYDLQTSOTWXHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8N2/c1-6(10)7(11,8(12,13)14)18-2-4-19(5-3-18)9(15,16)17/h1-5H2.
What are the key properties of 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine?
1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine has a molecular weight of 298.18 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3-pentafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 129207512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).