3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride

C4H9F2N3O — CID 172922695

IUPAC3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride
SMILESC=C(N)CF.N/C(F)=N\O
InChIInChI=1S/C3H6FN.CH3FN2O/c1-3(5)2-4;2-1(3)4-5/h1-2,5H2;5H,(H2,3,4)
InChIKeyRNYFBZIXYHYXIL-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.09
Rot. Bonds1

About 3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride

3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride (PubChem CID 172922695) has the molecular formula C4H9F2N3O and a molecular weight of 153.13 g/mol. Its IUPAC name is 3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride.

Molecular Properties

Compound Name3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride
PubChem CID172922695
Molecular FormulaC4H9F2N3O
Molecular Weight153.13 g/mol
Exact Mass153.07
IUPAC Name3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride
SMILESC=C(N)CF.N/C(F)=N\O
InChIInChI=1S/C3H6FN.CH3FN2O/c1-3(5)2-4;2-1(3)4-5/h1-2,5H2;5H,(H2,3,4)
InChIKeyRNYFBZIXYHYXIL-UHFFFAOYSA-N
XLogP0.09
TPSA84.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride?
The IUPAC name of 3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride (CID 172922695) is 3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride.
What is the SMILES notation for 3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride?
The canonical SMILES for 3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride is C=C(N)CF.N/C(F)=N\O.
What is the InChIKey of 3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride?
The InChIKey is RNYFBZIXYHYXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FN.CH3FN2O/c1-3(5)2-4;2-1(3)4-5/h1-2,5H2;5H,(H2,3,4).
What are the key properties of 3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride?
3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride has a molecular weight of 153.13 g/mol, XLogP of 0.09, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroprop-1-en-2-amine;N'-hydroxycarbamimidoyl fluoride is sourced from PubChem (CID 172922695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).