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

C6H9FN2 — CID 170277430

IUPAC(E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine
SMILES[H]/N=C/C(F)=C\N=C(C)C
InChIInChI=1S/C6H9FN2/c1-5(2)9-4-6(7)3-8/h3-4,8H,1-2H3/b6-4+,8-3+
InChIKeyFVAHHBDBEGSGJY-APHNTDFBSA-N
MW128.15 g/mol
LogP1.93
Rot. Bonds2

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

(E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine (PubChem CID 170277430) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is (E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name(E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine
PubChem CID170277430
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name(E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine
SMILES[H]/N=C/C(F)=C\N=C(C)C
InChIInChI=1S/C6H9FN2/c1-5(2)9-4-6(7)3-8/h3-4,8H,1-2H3/b6-4+,8-3+
InChIKeyFVAHHBDBEGSGJY-APHNTDFBSA-N
XLogP1.93
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine?
The IUPAC name of (E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine (CID 170277430) is (E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for (E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine?
The canonical SMILES for (E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine is [H]/N=C/C(F)=C\N=C(C)C.
What is the InChIKey of (E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine?
The InChIKey is FVAHHBDBEGSGJY-APHNTDFBSA-N. The full InChI is InChI=1S/C6H9FN2/c1-5(2)9-4-6(7)3-8/h3-4,8H,1-2H3/b6-4+,8-3+.
What are the key properties of (E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine?
(E)-2-fluoro-N'-propan-2-ylideneprop-2-ene-1,3-diimine has a molecular weight of 128.15 g/mol, XLogP of 1.93, 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'-propan-2-ylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 170277430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).