(E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine

C4H5FN2 — CID 126747074

IUPAC(E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine
SMILES[H]/N=C/C(F)=C\N=C
InChIInChI=1S/C4H5FN2/c1-7-3-4(5)2-6/h2-3,6H,1H2/b4-3+,6-2+
InChIKeyYLENJPRQCTVYQZ-RPCHPSCSSA-N
MW100.10 g/mol
LogP1.15
Rot. Bonds2

About (E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine

(E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine (PubChem CID 126747074) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is (E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine
PubChem CID126747074
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC Name(E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine
SMILES[H]/N=C/C(F)=C\N=C
InChIInChI=1S/C4H5FN2/c1-7-3-4(5)2-6/h2-3,6H,1H2/b4-3+,6-2+
InChIKeyYLENJPRQCTVYQZ-RPCHPSCSSA-N
XLogP1.15
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-fluoro-3-methyliminoprop-1-en-1-amine
CID 87688897
2-fluoro-N'-propylideneprop-2-ene-1,3-diimine
CID 123333938
N'-ethylidene-2-fluoroprop-2-ene-1,3-diimine
CID 123586364
(E)-2-fluoro-3-iminoprop-1-en-1-amine
CID 143940668
(E)-3-ethenylimino-2-fluoroprop-1-en-1-amine
CID 146594000
2-Fluoro-3-methyliminoprop-1-en-1-amine
CID 147359228
CID 153394121
CID 153394121
CID 153435657
CID 153435657
1-[(Z)-2-fluoroprop-2-enylideneamino]ethenamine
CID 156652984
(Z)-3-[(E)-2-fluoroethenyl]iminoprop-1-en-1-amine
CID 163663920
(Z)-2-(2-fluoroprop-2-enylideneamino)ethenamine
CID 163721266
(E)-2-fluoro-N-methyl-3-methyliminoprop-1-en-1-amine
CID 166751069

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine?
The IUPAC name of (E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine (CID 126747074) is (E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for (E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine?
The canonical SMILES for (E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine is [H]/N=C/C(F)=C\N=C.
What is the InChIKey of (E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine?
The InChIKey is YLENJPRQCTVYQZ-RPCHPSCSSA-N. The full InChI is InChI=1S/C4H5FN2/c1-7-3-4(5)2-6/h2-3,6H,1H2/b4-3+,6-2+.
What are the key properties of (E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine?
(E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine has a molecular weight of 100.10 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N'-methylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 126747074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).