1,1,1-trifluorobut-3-en-2-ylidenehydrazine

C4H5F3N2 — CID 118457579

IUPAC1,1,1-trifluorobut-3-en-2-ylidenehydrazine
SMILESC=CC(=NN)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c1-2-3(9-8)4(5,6)7/h2H,1,8H2
InChIKeyXBIUEWCOUFXVPA-UHFFFAOYSA-N
MW138.09 g/mol
LogP1.05
Rot. Bonds1

About 1,1,1-trifluorobut-3-en-2-ylidenehydrazine

1,1,1-trifluorobut-3-en-2-ylidenehydrazine (PubChem CID 118457579) has the molecular formula C4H5F3N2 and a molecular weight of 138.09 g/mol. Its IUPAC name is 1,1,1-trifluorobut-3-en-2-ylidenehydrazine.

Molecular Properties

Compound Name1,1,1-trifluorobut-3-en-2-ylidenehydrazine
PubChem CID118457579
Molecular FormulaC4H5F3N2
Molecular Weight138.09 g/mol
Exact Mass138.04
IUPAC Name1,1,1-trifluorobut-3-en-2-ylidenehydrazine
SMILESC=CC(=NN)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c1-2-3(9-8)4(5,6)7/h2H,1,8H2
InChIKeyXBIUEWCOUFXVPA-UHFFFAOYSA-N
XLogP1.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorobut-3-en-2-ylidenehydrazine?
The IUPAC name of 1,1,1-trifluorobut-3-en-2-ylidenehydrazine (CID 118457579) is 1,1,1-trifluorobut-3-en-2-ylidenehydrazine.
What is the SMILES notation for 1,1,1-trifluorobut-3-en-2-ylidenehydrazine?
The canonical SMILES for 1,1,1-trifluorobut-3-en-2-ylidenehydrazine is C=CC(=NN)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorobut-3-en-2-ylidenehydrazine?
The InChIKey is XBIUEWCOUFXVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2/c1-2-3(9-8)4(5,6)7/h2H,1,8H2.
What are the key properties of 1,1,1-trifluorobut-3-en-2-ylidenehydrazine?
1,1,1-trifluorobut-3-en-2-ylidenehydrazine has a molecular weight of 138.09 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorobut-3-en-2-ylidenehydrazine is sourced from PubChem (CID 118457579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).