(Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide

C5H7F3N2O — CID 88612141

IUPAC(Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide
SMILESC/C(=C/C(=O)NN)C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-3(5(6,7)8)2-4(11)10-9/h2H,9H2,1H3,(H,10,11)/b3-2-
InChIKeyWRLYTXVESSHQAY-IHWYPQMZSA-N
MW168.12 g/mol
LogP0.48
Rot. Bonds1

About (Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide

(Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide (PubChem CID 88612141) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is (Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide.

Molecular Properties

Compound Name(Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide
PubChem CID88612141
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC Name(Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide
SMILESC/C(=C/C(=O)NN)C(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-3(5(6,7)8)2-4(11)10-9/h2H,9H2,1H3,(H,10,11)/b3-2-
InChIKeyWRLYTXVESSHQAY-IHWYPQMZSA-N
XLogP0.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide 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 (Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide?
The IUPAC name of (Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide (CID 88612141) is (Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide.
What is the SMILES notation for (Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide?
The canonical SMILES for (Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide is C/C(=C/C(=O)NN)C(F)(F)F.
What is the InChIKey of (Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide?
The InChIKey is WRLYTXVESSHQAY-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H7F3N2O/c1-3(5(6,7)8)2-4(11)10-9/h2H,9H2,1H3,(H,10,11)/b3-2-.
What are the key properties of (Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide?
(Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide has a molecular weight of 168.12 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4,4-trifluoro-3-methylbut-2-enehydrazide is sourced from PubChem (CID 88612141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).