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

C8H10F6N2 — CID 146426211

IUPAC1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine
SMILESC=C(F)C(F)(N1CCN(F)CC1)C(F)(F)F
InChIInChI=1S/C8H10F6N2/c1-6(9)7(10,8(11,12)13)15-2-4-16(14)5-3-15/h1-5H2
InChIKeyZHXQRJQZPRDQFO-UHFFFAOYSA-N
MW248.17 g/mol
LogP2.20
Rot. Bonds2

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

1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine (PubChem CID 146426211) has the molecular formula C8H10F6N2 and a molecular weight of 248.17 g/mol. Its IUPAC name is 1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine.

Molecular Properties

Compound Name1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine
PubChem CID146426211
Molecular FormulaC8H10F6N2
Molecular Weight248.17 g/mol
Exact Mass248.07
IUPAC Name1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine
SMILESC=C(F)C(F)(N1CCN(F)CC1)C(F)(F)F
InChIInChI=1S/C8H10F6N2/c1-6(9)7(10,8(11,12)13)15-2-4-16(14)5-3-15/h1-5H2
InChIKeyZHXQRJQZPRDQFO-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine?
The IUPAC name of 1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine (CID 146426211) is 1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine.
What is the SMILES notation for 1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine?
The canonical SMILES for 1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine is C=C(F)C(F)(N1CCN(F)CC1)C(F)(F)F.
What is the InChIKey of 1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine?
The InChIKey is ZHXQRJQZPRDQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2/c1-6(9)7(10,8(11,12)13)15-2-4-16(14)5-3-15/h1-5H2.
What are the key properties of 1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine?
1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine has a molecular weight of 248.17 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(1,1,1,2,3-pentafluorobut-3-en-2-yl)piperazine is sourced from PubChem (CID 146426211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).