1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine

C7H9F5N2 — CID 137459978

IUPAC1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine
SMILESF/C(=C(/F)C(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H9F5N2/c8-5(7(10,11)12)6(9)14-3-1-13-2-4-14/h13H,1-4H2/b6-5-
InChIKeyQHXBJBBNTRRPTC-WAYWQWQTSA-N
MW216.15 g/mol
LogP1.56
Rot. Bonds1

About 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine

1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine (PubChem CID 137459978) has the molecular formula C7H9F5N2 and a molecular weight of 216.15 g/mol. Its IUPAC name is 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine
PubChem CID137459978
Molecular FormulaC7H9F5N2
Molecular Weight216.15 g/mol
Exact Mass216.07
IUPAC Name1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine
SMILESF/C(=C(/F)C(F)(F)F)N1CCNCC1
InChIInChI=1S/C7H9F5N2/c8-5(7(10,11)12)6(9)14-3-1-13-2-4-14/h13H,1-4H2/b6-5-
InChIKeyQHXBJBBNTRRPTC-WAYWQWQTSA-N
XLogP1.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
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-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine?
The IUPAC name of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine (CID 137459978) is 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine.
What is the SMILES notation for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine?
The canonical SMILES for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine is F/C(=C(/F)C(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine?
The InChIKey is QHXBJBBNTRRPTC-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H9F5N2/c8-5(7(10,11)12)6(9)14-3-1-13-2-4-14/h13H,1-4H2/b6-5-.
What are the key properties of 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine?
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine has a molecular weight of 216.15 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]piperazine is sourced from PubChem (CID 137459978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).