(5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine

C7H9FN2 — CID 139334698

IUPAC(5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine
SMILESNNC1=CCC=C(F)C=C1
InChIInChI=1S/C7H9FN2/c8-6-2-1-3-7(10-9)5-4-6/h2-5,10H,1,9H2
InChIKeyNMIHDPCJSWOENZ-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.15
Rot. Bonds1

About (5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine

(5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine (PubChem CID 139334698) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is (5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine.

Molecular Properties

Compound Name(5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine
PubChem CID139334698
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name(5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine
SMILESNNC1=CCC=C(F)C=C1
InChIInChI=1S/C7H9FN2/c8-6-2-1-3-7(10-9)5-4-6/h2-5,10H,1,9H2
InChIKeyNMIHDPCJSWOENZ-UHFFFAOYSA-N
XLogP1.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.15
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 (5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine?
The IUPAC name of (5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine (CID 139334698) is (5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine.
What is the SMILES notation for (5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine?
The canonical SMILES for (5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine is NNC1=CCC=C(F)C=C1.
What is the InChIKey of (5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine?
The InChIKey is NMIHDPCJSWOENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2/c8-6-2-1-3-7(10-9)5-4-6/h2-5,10H,1,9H2.
What are the key properties of (5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine?
(5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine has a molecular weight of 140.16 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluorocyclohepta-1,4,6-trien-1-yl)hydrazine is sourced from PubChem (CID 139334698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).