N-(1-fluoroprop-1-enyl)methanimine

C4H6FN — CID 123505186

IUPACN-(1-fluoroprop-1-enyl)methanimine
SMILESC=NC(F)=CC
InChIInChI=1S/C4H6FN/c1-3-4(5)6-2/h3H,2H2,1H3
InChIKeyKTYFYYAEWFGXHN-UHFFFAOYSA-N
MW87.10 g/mol
LogP1.52
Rot. Bonds1

About N-(1-fluoroprop-1-enyl)methanimine

N-(1-fluoroprop-1-enyl)methanimine (PubChem CID 123505186) has the molecular formula C4H6FN and a molecular weight of 87.10 g/mol. Its IUPAC name is N-(1-fluoroprop-1-enyl)methanimine.

Molecular Properties

Compound NameN-(1-fluoroprop-1-enyl)methanimine
PubChem CID123505186
Molecular FormulaC4H6FN
Molecular Weight87.10 g/mol
Exact Mass87.05
IUPAC NameN-(1-fluoroprop-1-enyl)methanimine
SMILESC=NC(F)=CC
InChIInChI=1S/C4H6FN/c1-3-4(5)6-2/h3H,2H2,1H3
InChIKeyKTYFYYAEWFGXHN-UHFFFAOYSA-N
XLogP1.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.10
LogP ≤ 51.52
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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Related Compounds

N-prop-1-en-2-ylmethanimidoyl fluoride
CID 123448995
N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine
CID 142524880
N-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine
CID 144545741

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroprop-1-enyl)methanimine?
The IUPAC name of N-(1-fluoroprop-1-enyl)methanimine (CID 123505186) is N-(1-fluoroprop-1-enyl)methanimine.
What is the SMILES notation for N-(1-fluoroprop-1-enyl)methanimine?
The canonical SMILES for N-(1-fluoroprop-1-enyl)methanimine is C=NC(F)=CC.
What is the InChIKey of N-(1-fluoroprop-1-enyl)methanimine?
The InChIKey is KTYFYYAEWFGXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN/c1-3-4(5)6-2/h3H,2H2,1H3.
What are the key properties of N-(1-fluoroprop-1-enyl)methanimine?
N-(1-fluoroprop-1-enyl)methanimine has a molecular weight of 87.10 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroprop-1-enyl)methanimine is sourced from PubChem (CID 123505186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).