(2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine

C8H12FN — CID 145446510

IUPAC(2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine
SMILESC=C(C)C(=C/F)/C=N/CC
InChIInChI=1S/C8H12FN/c1-4-10-6-8(5-9)7(2)3/h5-6H,2,4H2,1,3H3/b8-5+,10-6+
InChIKeySSMCRBRSZAKHNQ-YLDLMLGBSA-N
MW141.19 g/mol
LogP2.51
Rot. Bonds3

About (2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine

(2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine (PubChem CID 145446510) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine.

Molecular Properties

Compound Name(2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine
PubChem CID145446510
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine
SMILESC=C(C)C(=C/F)/C=N/CC
InChIInChI=1S/C8H12FN/c1-4-10-6-8(5-9)7(2)3/h5-6H,2,4H2,1,3H3/b8-5+,10-6+
InChIKeySSMCRBRSZAKHNQ-YLDLMLGBSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.51
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 (2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-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 (2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine?
The IUPAC name of (2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine (CID 145446510) is (2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine.
What is the SMILES notation for (2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine?
The canonical SMILES for (2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine is C=C(C)C(=C/F)/C=N/CC.
What is the InChIKey of (2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine?
The InChIKey is SSMCRBRSZAKHNQ-YLDLMLGBSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-10-6-8(5-9)7(2)3/h5-6H,2,4H2,1,3H3/b8-5+,10-6+.
What are the key properties of (2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine?
(2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine has a molecular weight of 141.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-2-(fluoromethylidene)-3-methylbut-3-en-1-imine is sourced from PubChem (CID 145446510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).