4-amino-2-methyliminobut-3-enimidoyl fluoride

C5H8FN3 — CID 174114701

IUPAC4-amino-2-methyliminobut-3-enimidoyl fluoride
SMILES[H]/N=C(F)/C(C=CN)=N/C
InChIInChI=1S/C5H8FN3/c1-9-4(2-3-7)5(6)8/h2-3,8H,7H2,1H3/b3-2?,8-5-,9-4+
InChIKeyQAMJIYAQYRNDLP-XWILCDPISA-N
MW129.14 g/mol
LogP0.48
Rot. Bonds2

About 4-amino-2-methyliminobut-3-enimidoyl fluoride

4-amino-2-methyliminobut-3-enimidoyl fluoride (PubChem CID 174114701) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 4-amino-2-methyliminobut-3-enimidoyl fluoride.

Molecular Properties

Compound Name4-amino-2-methyliminobut-3-enimidoyl fluoride
PubChem CID174114701
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name4-amino-2-methyliminobut-3-enimidoyl fluoride
SMILES[H]/N=C(F)/C(C=CN)=N/C
InChIInChI=1S/C5H8FN3/c1-9-4(2-3-7)5(6)8/h2-3,8H,7H2,1H3/b3-2?,8-5-,9-4+
InChIKeyQAMJIYAQYRNDLP-XWILCDPISA-N
XLogP0.48
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.48
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 4-amino-2-methyliminobut-3-enimidoyl fluoride?
The IUPAC name of 4-amino-2-methyliminobut-3-enimidoyl fluoride (CID 174114701) is 4-amino-2-methyliminobut-3-enimidoyl fluoride.
What is the SMILES notation for 4-amino-2-methyliminobut-3-enimidoyl fluoride?
The canonical SMILES for 4-amino-2-methyliminobut-3-enimidoyl fluoride is [H]/N=C(F)/C(C=CN)=N/C.
What is the InChIKey of 4-amino-2-methyliminobut-3-enimidoyl fluoride?
The InChIKey is QAMJIYAQYRNDLP-XWILCDPISA-N. The full InChI is InChI=1S/C5H8FN3/c1-9-4(2-3-7)5(6)8/h2-3,8H,7H2,1H3/b3-2?,8-5-,9-4+.
What are the key properties of 4-amino-2-methyliminobut-3-enimidoyl fluoride?
4-amino-2-methyliminobut-3-enimidoyl fluoride has a molecular weight of 129.14 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyliminobut-3-enimidoyl fluoride is sourced from PubChem (CID 174114701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).