1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine

C8H15FN2 — CID 135202533

IUPAC1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine
SMILESC=C(/C(F)=C\CC)N(C)NC
InChIInChI=1S/C8H15FN2/c1-5-6-8(9)7(2)11(4)10-3/h6,10H,2,5H2,1,3-4H3/b8-6+
InChIKeyDIWRABUZAXNASC-SOFGYWHQSA-N
MW158.22 g/mol
LogP1.83
Rot. Bonds4

About 1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine

1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine (PubChem CID 135202533) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine.

Molecular Properties

Compound Name1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine
PubChem CID135202533
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine
SMILESC=C(/C(F)=C\CC)N(C)NC
InChIInChI=1S/C8H15FN2/c1-5-6-8(9)7(2)11(4)10-3/h6,10H,2,5H2,1,3-4H3/b8-6+
InChIKeyDIWRABUZAXNASC-SOFGYWHQSA-N
XLogP1.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
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-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine 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-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine?
The IUPAC name of 1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine (CID 135202533) is 1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine.
What is the SMILES notation for 1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine?
The canonical SMILES for 1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine is C=C(/C(F)=C\CC)N(C)NC.
What is the InChIKey of 1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine?
The InChIKey is DIWRABUZAXNASC-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H15FN2/c1-5-6-8(9)7(2)11(4)10-3/h6,10H,2,5H2,1,3-4H3/b8-6+.
What are the key properties of 1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine?
1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine has a molecular weight of 158.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine is sourced from PubChem (CID 135202533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).