(E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine

C7H11F4N3 — CID 155323169

IUPAC(E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine
SMILESN/C(=C(/F)N1CCNCC1)C(F)(F)F
InChIInChI=1S/C7H11F4N3/c8-6(5(12)7(9,10)11)14-3-1-13-2-4-14/h13H,1-4,12H2/b6-5-
InChIKeyVBWZHIIAZAGRMW-WAYWQWQTSA-N
MW213.18 g/mol
LogP0.55
Rot. Bonds1

About (E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine

(E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine (PubChem CID 155323169) has the molecular formula C7H11F4N3 and a molecular weight of 213.18 g/mol. Its IUPAC name is (E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine
PubChem CID155323169
Molecular FormulaC7H11F4N3
Molecular Weight213.18 g/mol
Exact Mass213.09
IUPAC Name(E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine
SMILESN/C(=C(/F)N1CCNCC1)C(F)(F)F
InChIInChI=1S/C7H11F4N3/c8-6(5(12)7(9,10)11)14-3-1-13-2-4-14/h13H,1-4,12H2/b6-5-
InChIKeyVBWZHIIAZAGRMW-WAYWQWQTSA-N
XLogP0.55
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine?
The IUPAC name of (E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine (CID 155323169) is (E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine.
What is the SMILES notation for (E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine?
The canonical SMILES for (E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine is N/C(=C(/F)N1CCNCC1)C(F)(F)F.
What is the InChIKey of (E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine?
The InChIKey is VBWZHIIAZAGRMW-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11F4N3/c8-6(5(12)7(9,10)11)14-3-1-13-2-4-14/h13H,1-4,12H2/b6-5-.
What are the key properties of (E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine?
(E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine has a molecular weight of 213.18 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3,3,3-tetrafluoro-1-piperazin-1-ylprop-1-en-2-amine is sourced from PubChem (CID 155323169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).