N-ethenyl-2-fluoroprop-2-en-1-imine

C5H6FN — CID 123893750

IUPACN-ethenyl-2-fluoroprop-2-en-1-imine
SMILESC=C/N=C/C(=C)F
InChIInChI=1S/C5H6FN/c1-3-7-4-5(2)6/h3-4H,1-2H2/b7-4+
InChIKeyGJIIXKOTLUDCBR-QPJJXVBHSA-N
MW99.11 g/mol
LogP1.68
Rot. Bonds2

About N-ethenyl-2-fluoroprop-2-en-1-imine

N-ethenyl-2-fluoroprop-2-en-1-imine (PubChem CID 123893750) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is N-ethenyl-2-fluoroprop-2-en-1-imine.

Molecular Properties

Compound NameN-ethenyl-2-fluoroprop-2-en-1-imine
PubChem CID123893750
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC NameN-ethenyl-2-fluoroprop-2-en-1-imine
SMILESC=C/N=C/C(=C)F
InChIInChI=1S/C5H6FN/c1-3-7-4-5(2)6/h3-4H,1-2H2/b7-4+
InChIKeyGJIIXKOTLUDCBR-QPJJXVBHSA-N
XLogP1.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethenyl-2-fluoroprop-2-en-1-imine?
The IUPAC name of N-ethenyl-2-fluoroprop-2-en-1-imine (CID 123893750) is N-ethenyl-2-fluoroprop-2-en-1-imine.
What is the SMILES notation for N-ethenyl-2-fluoroprop-2-en-1-imine?
The canonical SMILES for N-ethenyl-2-fluoroprop-2-en-1-imine is C=C/N=C/C(=C)F.
What is the InChIKey of N-ethenyl-2-fluoroprop-2-en-1-imine?
The InChIKey is GJIIXKOTLUDCBR-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H6FN/c1-3-7-4-5(2)6/h3-4H,1-2H2/b7-4+.
What are the key properties of N-ethenyl-2-fluoroprop-2-en-1-imine?
N-ethenyl-2-fluoroprop-2-en-1-imine has a molecular weight of 99.11 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-fluoroprop-2-en-1-imine is sourced from PubChem (CID 123893750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).