N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide

C6H9FN2 — CID 88914767

IUPACN'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide
SMILESCC(C)=N/C=N/C=C/F
InChIInChI=1S/C6H9FN2/c1-6(2)9-5-8-4-3-7/h3-5H,1-2H3/b4-3+,8-5+
InChIKeyQOOJXCXMVBJVAN-SALQQRKASA-N
MW128.15 g/mol
LogP1.94
Rot. Bonds2

About N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide

N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide (PubChem CID 88914767) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide.

Molecular Properties

Compound NameN'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide
PubChem CID88914767
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC NameN'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide
SMILESCC(C)=N/C=N/C=C/F
InChIInChI=1S/C6H9FN2/c1-6(2)9-5-8-4-3-7/h3-5H,1-2H3/b4-3+,8-5+
InChIKeyQOOJXCXMVBJVAN-SALQQRKASA-N
XLogP1.94
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide?
The IUPAC name of N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide (CID 88914767) is N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide.
What is the SMILES notation for N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide?
The canonical SMILES for N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide is CC(C)=N/C=N/C=C/F.
What is the InChIKey of N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide?
The InChIKey is QOOJXCXMVBJVAN-SALQQRKASA-N. The full InChI is InChI=1S/C6H9FN2/c1-6(2)9-5-8-4-3-7/h3-5H,1-2H3/b4-3+,8-5+.
What are the key properties of N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide?
N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide has a molecular weight of 128.15 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-2-fluoroethenyl]-N-propan-2-ylidenemethanimidamide is sourced from PubChem (CID 88914767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).