(E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine

C7H9F3N2 — CID 89165897

IUPAC(E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine
SMILESC=C(C)/C=C\C(=N/N)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(2)3-4-6(12-11)7(8,9)10/h3-4H,1,11H2,2H3/b4-3-,12-6+
InChIKeyVTUCHEDXSFKNNY-PRIXUFLXSA-N
MW178.16 g/mol
LogP2.00
Rot. Bonds2

About (E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine

(E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine (PubChem CID 89165897) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is (E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine.

Molecular Properties

Compound Name(E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine
PubChem CID89165897
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name(E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine
SMILESC=C(C)/C=C\C(=N/N)C(F)(F)F
InChIInChI=1S/C7H9F3N2/c1-5(2)3-4-6(12-11)7(8,9)10/h3-4H,1,11H2,2H3/b4-3-,12-6+
InChIKeyVTUCHEDXSFKNNY-PRIXUFLXSA-N
XLogP2.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 52.00
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine?
The IUPAC name of (E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine (CID 89165897) is (E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine.
What is the SMILES notation for (E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine?
The canonical SMILES for (E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine is C=C(C)/C=C\C(=N/N)C(F)(F)F.
What is the InChIKey of (E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine?
The InChIKey is VTUCHEDXSFKNNY-PRIXUFLXSA-N. The full InChI is InChI=1S/C7H9F3N2/c1-5(2)3-4-6(12-11)7(8,9)10/h3-4H,1,11H2,2H3/b4-3-,12-6+.
What are the key properties of (E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine?
(E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine has a molecular weight of 178.16 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(3Z)-1,1,1-trifluoro-5-methylhexa-3,5-dien-2-ylidene]hydrazine is sourced from PubChem (CID 89165897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).