1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine

C5H9FN2 — CID 138546877

IUPAC1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine
SMILESC=C/C=C(/F)N(C)N
InChIInChI=1S/C5H9FN2/c1-3-4-5(6)8(2)7/h3-4H,1,7H2,2H3/b5-4-
InChIKeyAEOIIJAKRYFDIO-PLNGDYQASA-N
MW116.14 g/mol
LogP0.79
Rot. Bonds2

About 1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine

1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine (PubChem CID 138546877) has the molecular formula C5H9FN2 and a molecular weight of 116.14 g/mol. Its IUPAC name is 1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine
PubChem CID138546877
Molecular FormulaC5H9FN2
Molecular Weight116.14 g/mol
Exact Mass116.07
IUPAC Name1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine
SMILESC=C/C=C(/F)N(C)N
InChIInChI=1S/C5H9FN2/c1-3-4-5(6)8(2)7/h3-4H,1,7H2,2H3/b5-4-
InChIKeyAEOIIJAKRYFDIO-PLNGDYQASA-N
XLogP0.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.14
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine?
The IUPAC name of 1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine (CID 138546877) is 1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine.
What is the SMILES notation for 1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine?
The canonical SMILES for 1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine is C=C/C=C(/F)N(C)N.
What is the InChIKey of 1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine?
The InChIKey is AEOIIJAKRYFDIO-PLNGDYQASA-N. The full InChI is InChI=1S/C5H9FN2/c1-3-4-5(6)8(2)7/h3-4H,1,7H2,2H3/b5-4-.
What are the key properties of 1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine?
1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine has a molecular weight of 116.14 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-1-fluorobuta-1,3-dienyl]-1-methylhydrazine is sourced from PubChem (CID 138546877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).