(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine

C12H16FN — CID 142433312

IUPAC(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
SMILESC=C/N=C/C(/C=C(/F)C(=C)C)=C(C)C
InChIInChI=1S/C12H16FN/c1-6-14-8-11(9(2)3)7-12(13)10(4)5/h6-8H,1,4H2,2-3,5H3/b12-7+,14-8+
InChIKeySQGPVYDXEMIREU-BKKXBQFWSA-N
MW193.26 g/mol
LogP3.97
Rot. Bonds4

About (3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine

(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine (PubChem CID 142433312) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine.

Molecular Properties

Compound Name(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
PubChem CID142433312
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
SMILESC=C/N=C/C(/C=C(/F)C(=C)C)=C(C)C
InChIInChI=1S/C12H16FN/c1-6-14-8-11(9(2)3)7-12(13)10(4)5/h6-8H,1,4H2,2-3,5H3/b12-7+,14-8+
InChIKeySQGPVYDXEMIREU-BKKXBQFWSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.97
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 (3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-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 (3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine?
The IUPAC name of (3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine (CID 142433312) is (3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine.
What is the SMILES notation for (3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine?
The canonical SMILES for (3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine is C=C/N=C/C(/C=C(/F)C(=C)C)=C(C)C.
What is the InChIKey of (3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine?
The InChIKey is SQGPVYDXEMIREU-BKKXBQFWSA-N. The full InChI is InChI=1S/C12H16FN/c1-6-14-8-11(9(2)3)7-12(13)10(4)5/h6-8H,1,4H2,2-3,5H3/b12-7+,14-8+.
What are the key properties of (3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine?
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine has a molecular weight of 193.26 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine is sourced from PubChem (CID 142433312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).