(Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine

C9H17F3N4 — CID 166753649

IUPAC(Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine
SMILESCCC(N1CCN(C)C/C1=N/N)C(F)(F)F
InChIInChI=1S/C9H17F3N4/c1-3-7(9(10,11)12)16-5-4-15(2)6-8(16)14-13/h7H,3-6,13H2,1-2H3/b14-8-
InChIKeyBIKSSKMYVHJEEC-ZSOIEALJSA-N
MW238.26 g/mol
LogP0.85
Rot. Bonds2

About (Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine

(Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine (PubChem CID 166753649) has the molecular formula C9H17F3N4 and a molecular weight of 238.26 g/mol. Its IUPAC name is (Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine.

Molecular Properties

Compound Name(Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine
PubChem CID166753649
Molecular FormulaC9H17F3N4
Molecular Weight238.26 g/mol
Exact Mass238.14
IUPAC Name(Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine
SMILESCCC(N1CCN(C)C/C1=N/N)C(F)(F)F
InChIInChI=1S/C9H17F3N4/c1-3-7(9(10,11)12)16-5-4-15(2)6-8(16)14-13/h7H,3-6,13H2,1-2H3/b14-8-
InChIKeyBIKSSKMYVHJEEC-ZSOIEALJSA-N
XLogP0.85
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine?
The IUPAC name of (Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine (CID 166753649) is (Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine.
What is the SMILES notation for (Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine?
The canonical SMILES for (Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine is CCC(N1CCN(C)C/C1=N/N)C(F)(F)F.
What is the InChIKey of (Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine?
The InChIKey is BIKSSKMYVHJEEC-ZSOIEALJSA-N. The full InChI is InChI=1S/C9H17F3N4/c1-3-7(9(10,11)12)16-5-4-15(2)6-8(16)14-13/h7H,3-6,13H2,1-2H3/b14-8-.
What are the key properties of (Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine?
(Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine has a molecular weight of 238.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[4-methyl-1-(1,1,1-trifluorobutan-2-yl)piperazin-2-ylidene]hydrazine is sourced from PubChem (CID 166753649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).