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

C9H8F10N2 — CID 129271743

IUPAC1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
SMILESFC(F)=C(F)C(F)(N1CCN(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C9H8F10N2/c10-5(6(11)12)7(13,8(14,15)16)20-1-3-21(4-2-20)9(17,18)19/h1-4H2
InChIKeyQJHFNWLWEVEGAO-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.43
Rot. Bonds2

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

1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine (PubChem CID 129271743) has the molecular formula C9H8F10N2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
PubChem CID129271743
Molecular FormulaC9H8F10N2
Molecular Weight334.16 g/mol
Exact Mass334.05
IUPAC Name1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine
SMILESFC(F)=C(F)C(F)(N1CCN(C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C9H8F10N2/c10-5(6(11)12)7(13,8(14,15)16)20-1-3-21(4-2-20)9(17,18)19/h1-4H2
InChIKeyQJHFNWLWEVEGAO-UHFFFAOYSA-N
XLogP3.43
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.43
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-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine (CID 129271743) is 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine is FC(F)=C(F)C(F)(N1CCN(C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine?
The InChIKey is QJHFNWLWEVEGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F10N2/c10-5(6(11)12)7(13,8(14,15)16)20-1-3-21(4-2-20)9(17,18)19/h1-4H2.
What are the key properties of 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine?
1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine has a molecular weight of 334.16 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,4,4-heptafluorobut-3-en-2-yl)-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 129271743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).