2-fluoro-N'-propylideneprop-2-ene-1,3-diimine

C6H9FN2 — CID 123333938

IUPAC2-fluoro-N'-propylideneprop-2-ene-1,3-diimine
SMILES[H]/N=C/C(F)=C/N=C/CC
InChIInChI=1S/C6H9FN2/c1-2-3-9-5-6(7)4-8/h3-5,8H,2H2,1H3/b6-5?,8-4+,9-3+
InChIKeyQHUQLINLZXFAER-KUBHCIPGSA-N
MW128.15 g/mol
LogP1.93
Rot. Bonds3

About 2-fluoro-N'-propylideneprop-2-ene-1,3-diimine

2-fluoro-N'-propylideneprop-2-ene-1,3-diimine (PubChem CID 123333938) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is 2-fluoro-N'-propylideneprop-2-ene-1,3-diimine.

Molecular Properties

Compound Name2-fluoro-N'-propylideneprop-2-ene-1,3-diimine
PubChem CID123333938
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC Name2-fluoro-N'-propylideneprop-2-ene-1,3-diimine
SMILES[H]/N=C/C(F)=C/N=C/CC
InChIInChI=1S/C6H9FN2/c1-2-3-9-5-6(7)4-8/h3-5,8H,2H2,1H3/b6-5?,8-4+,9-3+
InChIKeyQHUQLINLZXFAER-KUBHCIPGSA-N
XLogP1.93
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 2-fluoro-N'-propylideneprop-2-ene-1,3-diimine?
The IUPAC name of 2-fluoro-N'-propylideneprop-2-ene-1,3-diimine (CID 123333938) is 2-fluoro-N'-propylideneprop-2-ene-1,3-diimine.
What is the SMILES notation for 2-fluoro-N'-propylideneprop-2-ene-1,3-diimine?
The canonical SMILES for 2-fluoro-N'-propylideneprop-2-ene-1,3-diimine is [H]/N=C/C(F)=C/N=C/CC.
What is the InChIKey of 2-fluoro-N'-propylideneprop-2-ene-1,3-diimine?
The InChIKey is QHUQLINLZXFAER-KUBHCIPGSA-N. The full InChI is InChI=1S/C6H9FN2/c1-2-3-9-5-6(7)4-8/h3-5,8H,2H2,1H3/b6-5?,8-4+,9-3+.
What are the key properties of 2-fluoro-N'-propylideneprop-2-ene-1,3-diimine?
2-fluoro-N'-propylideneprop-2-ene-1,3-diimine has a molecular weight of 128.15 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N'-propylideneprop-2-ene-1,3-diimine is sourced from PubChem (CID 123333938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).