4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine

C7H6FN — CID 138664516

IUPAC4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(F)=CC1=C
InChIInChI=1S/C7H6FN/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H2/b9-7+
InChIKeyNDRFDWBXLCLNEH-VQHVLOKHSA-N
MW123.13 g/mol
LogP1.99
Rot. Bonds

About 4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine

4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine (PubChem CID 138664516) has the molecular formula C7H6FN and a molecular weight of 123.13 g/mol. Its IUPAC name is 4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
PubChem CID138664516
Molecular FormulaC7H6FN
Molecular Weight123.13 g/mol
Exact Mass123.05
IUPAC Name4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC(F)=CC1=C
InChIInChI=1S/C7H6FN/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H2/b9-7+
InChIKeyNDRFDWBXLCLNEH-VQHVLOKHSA-N
XLogP1.99
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methylenecyclohexa-2,4-dienimine
CID 10909510
Cyclohexa-2,4-dien-1-imine
CID 14398587
4-Methylenecyclohexa-2,5-dienimine
CID 20575909
6-(Difluoromethylidene)cyclohexa-2,4-dien-1-imine
CID 10419267
3,5-Cyclohexadiene-1,2-diimine
CID 5475975
Toluquinone diimine
CID 57641797
(2-Fluorocyclohexa-2,4-dien-1-ylidene)hydrazine
CID 67687921
4-Fluorocyclohexa-2,4-dien-1-imine
CID 70294279
4,5-Difluorocyclohexa-3,5-diene-1,2-diimine
CID 70303232
6,6-Difluorocyclohexa-2,4-dien-1-imine
CID 70342878
(6,6-Difluorocyclohexa-2,4-dien-1-ylidene)azanium iodide
CID 88277875
3,4-Difluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89255212

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of 4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine (CID 138664516) is 4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for 4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC(F)=CC1=C.
What is the InChIKey of 4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is NDRFDWBXLCLNEH-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H6FN/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H2/b9-7+.
What are the key properties of 4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine?
4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 123.13 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 138664516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).