4-fluorocyclohexa-1,5-diene-1-carbohydrazide

C7H9FN2O — CID 143791470

IUPAC4-fluorocyclohexa-1,5-diene-1-carbohydrazide
SMILESNNC(=O)C1=CCC(F)C=C1
InChIInChI=1S/C7H9FN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-3,6H,4,9H2,(H,10,11)
InChIKeyAUQKBUKQXKGZNU-UHFFFAOYSA-N
MW156.16 g/mol
LogP0.20
Rot. Bonds1

About 4-fluorocyclohexa-1,5-diene-1-carbohydrazide

4-fluorocyclohexa-1,5-diene-1-carbohydrazide (PubChem CID 143791470) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is 4-fluorocyclohexa-1,5-diene-1-carbohydrazide.

Molecular Properties

Compound Name4-fluorocyclohexa-1,5-diene-1-carbohydrazide
PubChem CID143791470
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name4-fluorocyclohexa-1,5-diene-1-carbohydrazide
SMILESNNC(=O)C1=CCC(F)C=C1
InChIInChI=1S/C7H9FN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-3,6H,4,9H2,(H,10,11)
InChIKeyAUQKBUKQXKGZNU-UHFFFAOYSA-N
XLogP0.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-fluorocyclohexa-1,5-diene-1-carbohydrazide?
The IUPAC name of 4-fluorocyclohexa-1,5-diene-1-carbohydrazide (CID 143791470) is 4-fluorocyclohexa-1,5-diene-1-carbohydrazide.
What is the SMILES notation for 4-fluorocyclohexa-1,5-diene-1-carbohydrazide?
The canonical SMILES for 4-fluorocyclohexa-1,5-diene-1-carbohydrazide is NNC(=O)C1=CCC(F)C=C1.
What is the InChIKey of 4-fluorocyclohexa-1,5-diene-1-carbohydrazide?
The InChIKey is AUQKBUKQXKGZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-3,6H,4,9H2,(H,10,11).
What are the key properties of 4-fluorocyclohexa-1,5-diene-1-carbohydrazide?
4-fluorocyclohexa-1,5-diene-1-carbohydrazide has a molecular weight of 156.16 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorocyclohexa-1,5-diene-1-carbohydrazide is sourced from PubChem (CID 143791470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).