(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

Related Compounds

6h,7h-Quinoline
CID 67835501
2,5-Dimethylene-2,5-dihydropyridine
CID 76588966
N-[1-(4-fluorocyclohexa-1,5-dien-1-yl)ethenyl]methanimine
CID 70323185
(2Z,3Z)-2-(1-fluoroethylidene)-3-(3-fluoropropylidene)pyridine
CID 89255552
(2E,3E)-2-ethylidene-3-(1-fluoropropylidene)pyridine
CID 90447928
6-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,4-dihydropyridine
CID 90930168
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
CID 123938860
(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
2-methylidene-N-[(3E,5Z)-4-(trifluoromethyl)octa-1,3,5-trien-2-yl]butan-1-imine
CID 129171334
(2E)-5-ethenyl-2-[(2Z)-2-(2,2,2-trifluoroethyl)penta-2,4-dienylidene]-3H-pyridine
CID 129276493
(2Z,5E)-7,7-difluoro-6-methyl-N-[(3Z)-penta-1,3-dien-2-yl]octa-2,5-dien-1-imine
CID 130414005

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).