1-fluoro-N-(methoxymethyl)ethenamine

C4H8FNO — CID 130438085

IUPAC1-fluoro-N-(methoxymethyl)ethenamine
SMILESC=C(F)NCOC
InChIInChI=1S/C4H8FNO/c1-4(5)6-3-7-2/h6H,1,3H2,2H3
InChIKeyAJVZVFHZLGHPAJ-UHFFFAOYSA-N
MW105.11 g/mol
LogP0.62
Rot. Bonds3

About 1-fluoro-N-(methoxymethyl)ethenamine

1-fluoro-N-(methoxymethyl)ethenamine (PubChem CID 130438085) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is 1-fluoro-N-(methoxymethyl)ethenamine.

Molecular Properties

Compound Name1-fluoro-N-(methoxymethyl)ethenamine
PubChem CID130438085
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name1-fluoro-N-(methoxymethyl)ethenamine
SMILESC=C(F)NCOC
InChIInChI=1S/C4H8FNO/c1-4(5)6-3-7-2/h6H,1,3H2,2H3
InChIKeyAJVZVFHZLGHPAJ-UHFFFAOYSA-N
XLogP0.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(methoxymethyl)ethenamine?
The IUPAC name of 1-fluoro-N-(methoxymethyl)ethenamine (CID 130438085) is 1-fluoro-N-(methoxymethyl)ethenamine.
What is the SMILES notation for 1-fluoro-N-(methoxymethyl)ethenamine?
The canonical SMILES for 1-fluoro-N-(methoxymethyl)ethenamine is C=C(F)NCOC.
What is the InChIKey of 1-fluoro-N-(methoxymethyl)ethenamine?
The InChIKey is AJVZVFHZLGHPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c1-4(5)6-3-7-2/h6H,1,3H2,2H3.
What are the key properties of 1-fluoro-N-(methoxymethyl)ethenamine?
1-fluoro-N-(methoxymethyl)ethenamine has a molecular weight of 105.11 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(methoxymethyl)ethenamine is sourced from PubChem (CID 130438085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).