N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine

C6H9FN2 — CID 146392806

IUPACN'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine
SMILES[H]/N=C/C=N/C=C(/F)CC
InChIInChI=1S/C6H9FN2/c1-2-6(7)5-9-4-3-8/h3-5,8H,2H2,1H3/b6-5+,8-3+,9-4+
InChIKeyGQOBHQXKYLCBME-SZDGWZMRSA-N
MW128.15 g/mol
LogP1.93
Rot. Bonds3

About N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine

N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine (PubChem CID 146392806) has the molecular formula C6H9FN2 and a molecular weight of 128.15 g/mol. Its IUPAC name is N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine.

Molecular Properties

Compound NameN'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine
PubChem CID146392806
Molecular FormulaC6H9FN2
Molecular Weight128.15 g/mol
Exact Mass128.07
IUPAC NameN'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine
SMILES[H]/N=C/C=N/C=C(/F)CC
InChIInChI=1S/C6H9FN2/c1-2-6(7)5-9-4-3-8/h3-5,8H,2H2,1H3/b6-5+,8-3+,9-4+
InChIKeyGQOBHQXKYLCBME-SZDGWZMRSA-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 N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine?
The IUPAC name of N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine (CID 146392806) is N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine.
What is the SMILES notation for N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine?
The canonical SMILES for N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine is [H]/N=C/C=N/C=C(/F)CC.
What is the InChIKey of N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine?
The InChIKey is GQOBHQXKYLCBME-SZDGWZMRSA-N. The full InChI is InChI=1S/C6H9FN2/c1-2-6(7)5-9-4-3-8/h3-5,8H,2H2,1H3/b6-5+,8-3+,9-4+.
What are the key properties of N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine?
N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-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 N'-[(E)-2-fluorobut-1-enyl]ethane-1,2-diimine is sourced from PubChem (CID 146392806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).