[(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine

C7H10F3IN2 — CID 137392388

IUPAC[(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine
SMILESC/C=C(C)/C(I)=C(\NN)C(F)(F)F
InChIInChI=1S/C7H10F3IN2/c1-3-4(2)5(11)6(13-12)7(8,9)10/h3,13H,12H2,1-2H3/b4-3+,6-5+
InChIKeyAYQOQJOWYLQZIK-VNKDHWASSA-N
MW306.07 g/mol
LogP2.62
Rot. Bonds2

About [(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine

[(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine (PubChem CID 137392388) has the molecular formula C7H10F3IN2 and a molecular weight of 306.07 g/mol. Its IUPAC name is [(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine.

Molecular Properties

Compound Name[(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine
PubChem CID137392388
Molecular FormulaC7H10F3IN2
Molecular Weight306.07 g/mol
Exact Mass305.98
IUPAC Name[(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine
SMILESC/C=C(C)/C(I)=C(\NN)C(F)(F)F
InChIInChI=1S/C7H10F3IN2/c1-3-4(2)5(11)6(13-12)7(8,9)10/h3,13H,12H2,1-2H3/b4-3+,6-5+
InChIKeyAYQOQJOWYLQZIK-VNKDHWASSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.07
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-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 [(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine?
The IUPAC name of [(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine (CID 137392388) is [(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine.
What is the SMILES notation for [(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine?
The canonical SMILES for [(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine is C/C=C(C)/C(I)=C(\NN)C(F)(F)F.
What is the InChIKey of [(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine?
The InChIKey is AYQOQJOWYLQZIK-VNKDHWASSA-N. The full InChI is InChI=1S/C7H10F3IN2/c1-3-4(2)5(11)6(13-12)7(8,9)10/h3,13H,12H2,1-2H3/b4-3+,6-5+.
What are the key properties of [(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine?
[(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine has a molecular weight of 306.07 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-1,1,1-trifluoro-3-iodo-4-methylhexa-2,4-dien-2-yl]hydrazine is sourced from PubChem (CID 137392388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).