N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine

C7H10FN3 — CID 146531005

IUPACN'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine
SMILES[H]/N=C/C=N\N=C/C(F)=C\CC
InChIInChI=1S/C7H10FN3/c1-2-3-7(8)6-11-10-5-4-9/h3-6,9H,2H2,1H3/b7-3+,9-4+,10-5-,11-6-
InChIKeyRAYCCGOWVVJZOQ-RDBYNNGESA-N
MW155.18 g/mol
LogP1.96
Rot. Bonds4

About N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine

N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine (PubChem CID 146531005) has the molecular formula C7H10FN3 and a molecular weight of 155.18 g/mol. Its IUPAC name is N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine.

Molecular Properties

Compound NameN'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine
PubChem CID146531005
Molecular FormulaC7H10FN3
Molecular Weight155.18 g/mol
Exact Mass155.09
IUPAC NameN'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine
SMILES[H]/N=C/C=N\N=C/C(F)=C\CC
InChIInChI=1S/C7H10FN3/c1-2-3-7(8)6-11-10-5-4-9/h3-6,9H,2H2,1H3/b7-3+,9-4+,10-5-,11-6-
InChIKeyRAYCCGOWVVJZOQ-RDBYNNGESA-N
XLogP1.96
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine?
The IUPAC name of N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine (CID 146531005) is N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine.
What is the SMILES notation for N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine?
The canonical SMILES for N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine is [H]/N=C/C=N\N=C/C(F)=C\CC.
What is the InChIKey of N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine?
The InChIKey is RAYCCGOWVVJZOQ-RDBYNNGESA-N. The full InChI is InChI=1S/C7H10FN3/c1-2-3-7(8)6-11-10-5-4-9/h3-6,9H,2H2,1H3/b7-3+,9-4+,10-5-,11-6-.
What are the key properties of N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine?
N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine has a molecular weight of 155.18 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[(E)-2-fluoropent-2-enylidene]amino]ethane-1,2-diimine is sourced from PubChem (CID 146531005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).