(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine

C11H14FN — CID 91428366

IUPAC(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
SMILESC/C=C(C)\C=N\C1=CCC(F)C=C1
InChIInChI=1S/C11H14FN/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h3-4,6-8,10H,5H2,1-2H3/b9-3-,13-8+
InChIKeyJVEKUXDIIXWFIP-CTIKDXGYSA-N
MW179.24 g/mol
LogP3.21
Rot. Bonds2

About (Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine

(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine (PubChem CID 91428366) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
PubChem CID91428366
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
SMILESC/C=C(C)\C=N\C1=CCC(F)C=C1
InChIInChI=1S/C11H14FN/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h3-4,6-8,10H,5H2,1-2H3/b9-3-,13-8+
InChIKeyJVEKUXDIIXWFIP-CTIKDXGYSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine 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 (Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine?
The IUPAC name of (Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine (CID 91428366) is (Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine.
What is the SMILES notation for (Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine?
The canonical SMILES for (Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine is C/C=C(C)\C=N\C1=CCC(F)C=C1.
What is the InChIKey of (Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine?
The InChIKey is JVEKUXDIIXWFIP-CTIKDXGYSA-N. The full InChI is InChI=1S/C11H14FN/c1-3-9(2)8-13-11-6-4-10(12)5-7-11/h3-4,6-8,10H,5H2,1-2H3/b9-3-,13-8+.
What are the key properties of (Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine?
(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine has a molecular weight of 179.24 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine is sourced from PubChem (CID 91428366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).