ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine

C7H13FN2 — CID 143436403

IUPACethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine
SMILESCC.[H]/N=C/C(C)=C(F)\C=N\[H]
InChIInChI=1S/C5H7FN2.C2H6/c1-4(2-7)5(6)3-8;1-2/h2-3,7-8H,1H3;1-2H3/b5-4+,7-2+,8-3+;
InChIKeyIHMDSMUQPAULMD-WYUAHNNGSA-N
MW144.19 g/mol
LogP2.56
Rot. Bonds2

About ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine

ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine (PubChem CID 143436403) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine.

Molecular Properties

Compound Nameethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine
PubChem CID143436403
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Nameethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine
SMILESCC.[H]/N=C/C(C)=C(F)\C=N\[H]
InChIInChI=1S/C5H7FN2.C2H6/c1-4(2-7)5(6)3-8;1-2/h2-3,7-8H,1H3;1-2H3/b5-4+,7-2+,8-3+;
InChIKeyIHMDSMUQPAULMD-WYUAHNNGSA-N
XLogP2.56
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine 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 ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine?
The IUPAC name of ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine (CID 143436403) is ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine.
What is the SMILES notation for ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine?
The canonical SMILES for ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine is CC.[H]/N=C/C(C)=C(F)\C=N\[H].
What is the InChIKey of ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine?
The InChIKey is IHMDSMUQPAULMD-WYUAHNNGSA-N. The full InChI is InChI=1S/C5H7FN2.C2H6/c1-4(2-7)5(6)3-8;1-2/h2-3,7-8H,1H3;1-2H3/b5-4+,7-2+,8-3+;.
What are the key properties of ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine?
ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine has a molecular weight of 144.19 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-2-fluoro-3-methylbut-2-ene-1,4-diimine is sourced from PubChem (CID 143436403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).