[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine

C7H9F3N2 — CID 162554447

IUPAC[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine
SMILESNNC1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)5-1-3-6(12-11)4-2-5/h1,3-5,12H,2,11H2
InChIKeyMIILWHIOXHVHDJ-UHFFFAOYSA-N
MW178.16 g/mol
LogP1.47
Rot. Bonds1

About [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine

[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine (PubChem CID 162554447) has the molecular formula C7H9F3N2 and a molecular weight of 178.16 g/mol. Its IUPAC name is [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine.

Molecular Properties

Compound Name[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine
PubChem CID162554447
Molecular FormulaC7H9F3N2
Molecular Weight178.16 g/mol
Exact Mass178.07
IUPAC Name[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine
SMILESNNC1=CCC(C(F)(F)F)C=C1
InChIInChI=1S/C7H9F3N2/c8-7(9,10)5-1-3-6(12-11)4-2-5/h1,3-5,12H,2,11H2
InChIKeyMIILWHIOXHVHDJ-UHFFFAOYSA-N
XLogP1.47
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine?
The IUPAC name of [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine (CID 162554447) is [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine.
What is the SMILES notation for [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine?
The canonical SMILES for [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine is NNC1=CCC(C(F)(F)F)C=C1.
What is the InChIKey of [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine?
The InChIKey is MIILWHIOXHVHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2/c8-7(9,10)5-1-3-6(12-11)4-2-5/h1,3-5,12H,2,11H2.
What are the key properties of [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine?
[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine has a molecular weight of 178.16 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hydrazine is sourced from PubChem (CID 162554447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).