N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine

C9H14FN — CID 163860907

IUPACN-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine
SMILESC/C=C(C)\C(F)=C(C)/N=C/C
InChIInChI=1S/C9H14FN/c1-5-7(3)9(10)8(4)11-6-2/h5-6H,1-4H3/b7-5-,9-8+,11-6+
InChIKeyPCKNXZNLSUADHH-RHSAOINYSA-N
MW155.22 g/mol
LogP3.24
Rot. Bonds2

About N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine

N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine (PubChem CID 163860907) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine.

Molecular Properties

Compound NameN-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine
PubChem CID163860907
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC NameN-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine
SMILESC/C=C(C)\C(F)=C(C)/N=C/C
InChIInChI=1S/C9H14FN/c1-5-7(3)9(10)8(4)11-6-2/h5-6H,1-4H3/b7-5-,9-8+,11-6+
InChIKeyPCKNXZNLSUADHH-RHSAOINYSA-N
XLogP3.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine 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

(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
N-(2-fluoro-4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91152307
N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]prop-2-en-1-imine
CID 117825719
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
(3Z)-2,6-difluoro-N,4-dimethylhexa-3,5-dien-1-imine
CID 123726188
3-(1-Fluoroethylidene)-2-propylidenepyridine
CID 123855748
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(3E)-5-(trifluoromethyl)hexa-3,5-dien-3-yl]propan-1-imine
CID 126612017
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine?
The IUPAC name of N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine (CID 163860907) is N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine.
What is the SMILES notation for N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine?
The canonical SMILES for N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine is C/C=C(C)\C(F)=C(C)/N=C/C.
What is the InChIKey of N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine?
The InChIKey is PCKNXZNLSUADHH-RHSAOINYSA-N. The full InChI is InChI=1S/C9H14FN/c1-5-7(3)9(10)8(4)11-6-2/h5-6H,1-4H3/b7-5-,9-8+,11-6+.
What are the key properties of N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine?
N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine has a molecular weight of 155.22 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-3-fluoro-4-methylhexa-2,4-dien-2-yl]ethanimine is sourced from PubChem (CID 163860907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).