4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine

C12H9FN2 — CID 6395985

IUPAC4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]N=C1C=CC(=C2C=C(F)C=C/C2=N\[H])C=C1
InChIInChI=1S/C12H9FN2/c13-9-3-6-12(15)11(7-9)8-1-4-10(14)5-2-8/h1-7,14-15H/b11-8-,14-10+,15-12+
InChIKeyOIKKWPDPURIMLX-SBFAYZJWSA-N
MW200.22 g/mol
LogP2.87
Rot. Bonds

About 4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine

4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine (PubChem CID 6395985) has the molecular formula C12H9FN2 and a molecular weight of 200.22 g/mol. Its IUPAC name is 4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine
PubChem CID6395985
Molecular FormulaC12H9FN2
Molecular Weight200.22 g/mol
Exact Mass200.07
IUPAC Name4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine
SMILES[H]N=C1C=CC(=C2C=C(F)C=C/C2=N\[H])C=C1
InChIInChI=1S/C12H9FN2/c13-9-3-6-12(15)11(7-9)8-1-4-10(14)5-2-8/h1-7,14-15H/b11-8-,14-10+,15-12+
InChIKeyOIKKWPDPURIMLX-SBFAYZJWSA-N
XLogP2.87
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine?
The IUPAC name of 4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine (CID 6395985) is 4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine?
The canonical SMILES for 4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine is [H]N=C1C=CC(=C2C=C(F)C=C/C2=N\[H])C=C1.
What is the InChIKey of 4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine?
The InChIKey is OIKKWPDPURIMLX-SBFAYZJWSA-N. The full InChI is InChI=1S/C12H9FN2/c13-9-3-6-12(15)11(7-9)8-1-4-10(14)5-2-8/h1-7,14-15H/b11-8-,14-10+,15-12+.
What are the key properties of 4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine?
4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine has a molecular weight of 200.22 g/mol, XLogP of 2.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(4-iminocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 6395985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).