1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine

C9H15F3N2 — CID 162609670

IUPAC1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine
SMILESC/C=C(\C(NNC)=C(C)C)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-5-7(9(10,11)12)8(6(2)3)14-13-4/h5,13-14H,1-4H3/b7-5+
InChIKeyQXXGVLUQAXYQFJ-FNORWQNLSA-N
MW208.23 g/mol
LogP2.51
Rot. Bonds3

About 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine

1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine (PubChem CID 162609670) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine.

Molecular Properties

Compound Name1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine
PubChem CID162609670
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine
SMILESC/C=C(\C(NNC)=C(C)C)C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-5-7(9(10,11)12)8(6(2)3)14-13-4/h5,13-14H,1-4H3/b7-5+
InChIKeyQXXGVLUQAXYQFJ-FNORWQNLSA-N
XLogP2.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine 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 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine?
The IUPAC name of 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine (CID 162609670) is 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine.
What is the SMILES notation for 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine?
The canonical SMILES for 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine is C/C=C(\C(NNC)=C(C)C)C(F)(F)F.
What is the InChIKey of 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine?
The InChIKey is QXXGVLUQAXYQFJ-FNORWQNLSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-5-7(9(10,11)12)8(6(2)3)14-13-4/h5,13-14H,1-4H3/b7-5+.
What are the key properties of 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine?
1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine has a molecular weight of 208.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(4E)-2-methyl-4-(trifluoromethyl)hexa-2,4-dien-3-yl]hydrazine is sourced from PubChem (CID 162609670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).