(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine

C12H14FN — CID 143759855

IUPAC(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
SMILESC=C/N=C/C(=C)C(=C)/C(F)=C\C(=C)C
InChIInChI=1S/C12H14FN/c1-6-14-8-10(4)11(5)12(13)7-9(2)3/h6-8H,1-2,4-5H2,3H3/b12-7+,14-8+
InChIKeyGADREPGZYKJWBY-BKKXBQFWSA-N
MW191.25 g/mol
LogP3.74
Rot. Bonds5

About (4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine

(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine (PubChem CID 143759855) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is (4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine.

Molecular Properties

Compound Name(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
PubChem CID143759855
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
SMILESC=C/N=C/C(=C)C(=C)/C(F)=C\C(=C)C
InChIInChI=1S/C12H14FN/c1-6-14-8-10(4)11(5)12(13)7-9(2)3/h6-8H,1-2,4-5H2,3H3/b12-7+,14-8+
InChIKeyGADREPGZYKJWBY-BKKXBQFWSA-N
XLogP3.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.74
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'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine?
The IUPAC name of (4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine (CID 143759855) is (4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine.
What is the SMILES notation for (4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine?
The canonical SMILES for (4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine is C=C/N=C/C(=C)C(=C)/C(F)=C\C(=C)C.
What is the InChIKey of (4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine?
The InChIKey is GADREPGZYKJWBY-BKKXBQFWSA-N. The full InChI is InChI=1S/C12H14FN/c1-6-14-8-10(4)11(5)12(13)7-9(2)3/h6-8H,1-2,4-5H2,3H3/b12-7+,14-8+.
What are the key properties of (4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine?
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine has a molecular weight of 191.25 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine is sourced from PubChem (CID 143759855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).