(E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine

C6H9FN2 — CID 123588566

IUPAC(E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
SMILESC=N/C=C(F)\C(C)=N\C
InChIInChI=1S/C6H9FN2/c1-5(9-3)6(7)4-8-2/h4H,2H2,1,3H3/b6-4+,9-5+
InChIKeyHAUJYZBTGSICKY-REZHQCRGSA-N
MW128.15 g/mol
LogP1.59
Rot. Bonds2

About (E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine

(E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine (PubChem CID 123588566) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is (E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine.

Molecular Properties

Compound Name(E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
PubChem CID123588566
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name(E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
SMILESC=N/C=C(F)\C(C)=N\C
InChIInChI=1S/C6H9FN2/c1-5(9-3)6(7)4-8-2/h4H,2H2,1,3H3/b6-4+,9-5+
InChIKeyHAUJYZBTGSICKY-REZHQCRGSA-N
XLogP1.59
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-2-fluoroprop-1-enyl]but-3-en-2-imine
CID 89864903
(E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine
CID 123356737
(Z)-4-N-methylidene-2-N-(2,2,2-trifluoroethyl)but-3-ene-2,4-diimine
CID 130413505
N-ethenyl-3-fluorobut-3-en-2-imine
CID 143330416
(Z)-3,4-difluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 163443571
N-[(E)-2-fluoro-3-iminobut-1-enyl]ethanimidoyl fluoride
CID 167231763
(E)-2-fluoro-3-(1-fluoroethylimino)but-1-en-1-amine
CID 173702974
(E)-2-fluoro-3-methyliminobut-1-en-1-amine
CID 142977565
(Z)-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 88585998
2-N-ethyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 123646959
2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 123934598
2-N-ethenyl-3-N-methylidenebut-3-ene-2,3-diimine
CID 132042368

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine?
The IUPAC name of (E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine (CID 123588566) is (E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine.
What is the SMILES notation for (E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine?
The canonical SMILES for (E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine is C=N/C=C(F)\C(C)=N\C.
What is the InChIKey of (E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine?
The InChIKey is HAUJYZBTGSICKY-REZHQCRGSA-N. The full InChI is InChI=1S/C6H9FN2/c1-5(9-3)6(7)4-8-2/h4H,2H2,1,3H3/b6-4+,9-5+.
What are the key properties of (E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine?
(E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine has a molecular weight of 128.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine is sourced from PubChem (CID 123588566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).