1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine

C8H13FN2O — CID 89165342

IUPAC1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine
SMILESCONNCC1=CC=CCC1F
InChIInChI=1S/C8H13FN2O/c1-12-11-10-6-7-4-2-3-5-8(7)9/h2-4,8,10-11H,5-6H2,1H3
InChIKeyLUJJXUSMZOLLHM-UHFFFAOYSA-N
MW172.20 g/mol
LogP0.87
Rot. Bonds4

About 1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine

1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine (PubChem CID 89165342) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine.

Molecular Properties

Compound Name1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine
PubChem CID89165342
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine
SMILESCONNCC1=CC=CCC1F
InChIInChI=1S/C8H13FN2O/c1-12-11-10-6-7-4-2-3-5-8(7)9/h2-4,8,10-11H,5-6H2,1H3
InChIKeyLUJJXUSMZOLLHM-UHFFFAOYSA-N
XLogP0.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine?
The IUPAC name of 1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine (CID 89165342) is 1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine.
What is the SMILES notation for 1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine?
The canonical SMILES for 1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine is CONNCC1=CC=CCC1F.
What is the InChIKey of 1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine?
The InChIKey is LUJJXUSMZOLLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-12-11-10-6-7-4-2-3-5-8(7)9/h2-4,8,10-11H,5-6H2,1H3.
What are the key properties of 1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine?
1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine has a molecular weight of 172.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]-2-methoxyhydrazine is sourced from PubChem (CID 89165342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).