(E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine

C7H8FN — CID 145286666

IUPAC(E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine
SMILESF/N=C/C1=CCCC=C1
InChIInChI=1S/C7H8FN/c8-9-6-7-4-2-1-3-5-7/h2,4-6H,1,3H2/b9-6+
InChIKeyGOOCNVOBWOSAFM-RMKNXTFCSA-N
MW125.15 g/mol
LogP2.22
Rot. Bonds1

About (E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine

(E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine (PubChem CID 145286666) has the molecular formula C7H8FN and a molecular weight of 125.15 g/mol. Its IUPAC name is (E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine.

Molecular Properties

Compound Name(E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine
PubChem CID145286666
Molecular FormulaC7H8FN
Molecular Weight125.15 g/mol
Exact Mass125.06
IUPAC Name(E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine
SMILESF/N=C/C1=CCCC=C1
InChIInChI=1S/C7H8FN/c8-9-6-7-4-2-1-3-5-7/h2,4-6H,1,3H2/b9-6+
InChIKeyGOOCNVOBWOSAFM-RMKNXTFCSA-N
XLogP2.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.15
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine?
The IUPAC name of (E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine (CID 145286666) is (E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine.
What is the SMILES notation for (E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine?
The canonical SMILES for (E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine is F/N=C/C1=CCCC=C1.
What is the InChIKey of (E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine?
The InChIKey is GOOCNVOBWOSAFM-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H8FN/c8-9-6-7-4-2-1-3-5-7/h2,4-6H,1,3H2/b9-6+.
What are the key properties of (E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine?
(E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine has a molecular weight of 125.15 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexa-1,5-dien-1-yl-N-fluoromethanimine is sourced from PubChem (CID 145286666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).