1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine

C13H12FN — CID 131982794

IUPAC1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/C2=CC=CCC2)cc1
InChIInChI=1S/C13H12FN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-2,4,6-10H,3,5H2/b15-10+
InChIKeySGNQMUCIETYFOE-XNTDXEJSSA-N
MW201.24 g/mol
LogP3.80
Rot. Bonds2

About 1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine

1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine (PubChem CID 131982794) has the molecular formula C13H12FN and a molecular weight of 201.24 g/mol. Its IUPAC name is 1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine.

Molecular Properties

Compound Name1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine
PubChem CID131982794
Molecular FormulaC13H12FN
Molecular Weight201.24 g/mol
Exact Mass201.10
IUPAC Name1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine
SMILESFc1ccc(/N=C/C2=CC=CCC2)cc1
InChIInChI=1S/C13H12FN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-2,4,6-10H,3,5H2/b15-10+
InChIKeySGNQMUCIETYFOE-XNTDXEJSSA-N
XLogP3.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine?
The IUPAC name of 1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine (CID 131982794) is 1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine.
What is the SMILES notation for 1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine?
The canonical SMILES for 1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine is Fc1ccc(/N=C/C2=CC=CCC2)cc1.
What is the InChIKey of 1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine?
The InChIKey is SGNQMUCIETYFOE-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H12FN/c14-12-6-8-13(9-7-12)15-10-11-4-2-1-3-5-11/h1-2,4,6-10H,3,5H2/b15-10+.
What are the key properties of 1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine?
1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine has a molecular weight of 201.24 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,3-dien-1-yl-N-(4-fluorophenyl)methanimine is sourced from PubChem (CID 131982794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).