N-(1-fluoroethenyl)propan-1-imine

C5H8FN — CID 123909746

IUPACN-(1-fluoroethenyl)propan-1-imine
SMILESC=C(F)N=CCC
InChIInChI=1S/C5H8FN/c1-3-4-7-5(2)6/h4H,2-3H2,1H3
InChIKeyRMBHJRGBNHMYPR-UHFFFAOYSA-N
MW101.12 g/mol
LogP1.91
Rot. Bonds2

About N-(1-fluoroethenyl)propan-1-imine

N-(1-fluoroethenyl)propan-1-imine (PubChem CID 123909746) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is N-(1-fluoroethenyl)propan-1-imine.

Molecular Properties

Compound NameN-(1-fluoroethenyl)propan-1-imine
PubChem CID123909746
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC NameN-(1-fluoroethenyl)propan-1-imine
SMILESC=C(F)N=CCC
InChIInChI=1S/C5H8FN/c1-3-4-7-5(2)6/h4H,2-3H2,1H3
InChIKeyRMBHJRGBNHMYPR-UHFFFAOYSA-N
XLogP1.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroethenyl)propan-1-imine?
The IUPAC name of N-(1-fluoroethenyl)propan-1-imine (CID 123909746) is N-(1-fluoroethenyl)propan-1-imine.
What is the SMILES notation for N-(1-fluoroethenyl)propan-1-imine?
The canonical SMILES for N-(1-fluoroethenyl)propan-1-imine is C=C(F)N=CCC.
What is the InChIKey of N-(1-fluoroethenyl)propan-1-imine?
The InChIKey is RMBHJRGBNHMYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN/c1-3-4-7-5(2)6/h4H,2-3H2,1H3.
What are the key properties of N-(1-fluoroethenyl)propan-1-imine?
N-(1-fluoroethenyl)propan-1-imine has a molecular weight of 101.12 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroethenyl)propan-1-imine is sourced from PubChem (CID 123909746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).