3-(aminomethylimino)-2-fluoropropanamide

C4H8FN3O — CID 123700486

IUPAC3-(aminomethylimino)-2-fluoropropanamide
SMILESNCN=CC(F)C(N)=O
InChIInChI=1S/C4H8FN3O/c5-3(4(7)9)1-8-2-6/h1,3H,2,6H2,(H2,7,9)
InChIKeyZFBQQPNITJHOJJ-UHFFFAOYSA-N
MW133.13 g/mol
LogP-1.20
Rot. Bonds3

About 3-(aminomethylimino)-2-fluoropropanamide

3-(aminomethylimino)-2-fluoropropanamide (PubChem CID 123700486) has the molecular formula C4H8FN3O and a molecular weight of 133.13 g/mol. Its IUPAC name is 3-(aminomethylimino)-2-fluoropropanamide.

Molecular Properties

Compound Name3-(aminomethylimino)-2-fluoropropanamide
PubChem CID123700486
Molecular FormulaC4H8FN3O
Molecular Weight133.13 g/mol
Exact Mass133.07
IUPAC Name3-(aminomethylimino)-2-fluoropropanamide
SMILESNCN=CC(F)C(N)=O
InChIInChI=1S/C4H8FN3O/c5-3(4(7)9)1-8-2-6/h1,3H,2,6H2,(H2,7,9)
InChIKeyZFBQQPNITJHOJJ-UHFFFAOYSA-N
XLogP-1.20
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.13
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(aminomethylimino)-2-fluoropropanamide?
The IUPAC name of 3-(aminomethylimino)-2-fluoropropanamide (CID 123700486) is 3-(aminomethylimino)-2-fluoropropanamide.
What is the SMILES notation for 3-(aminomethylimino)-2-fluoropropanamide?
The canonical SMILES for 3-(aminomethylimino)-2-fluoropropanamide is NCN=CC(F)C(N)=O.
What is the InChIKey of 3-(aminomethylimino)-2-fluoropropanamide?
The InChIKey is ZFBQQPNITJHOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN3O/c5-3(4(7)9)1-8-2-6/h1,3H,2,6H2,(H2,7,9).
What are the key properties of 3-(aminomethylimino)-2-fluoropropanamide?
3-(aminomethylimino)-2-fluoropropanamide has a molecular weight of 133.13 g/mol, XLogP of -1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethylimino)-2-fluoropropanamide is sourced from PubChem (CID 123700486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).