3-amino-2-methylprop-2-enimidoyl fluoride

C4H7FN2 — CID 148538082

IUPAC3-amino-2-methylprop-2-enimidoyl fluoride
SMILES[H]/N=C(\F)C(C)=CN
InChIInChI=1S/C4H7FN2/c1-3(2-6)4(5)7/h2,7H,6H2,1H3/b3-2?,7-4-
InChIKeyNTIHMVKCKBIDGX-JZABDGQBSA-N
MW102.11 g/mol
LogP0.80
Rot. Bonds1

About 3-amino-2-methylprop-2-enimidoyl fluoride

3-amino-2-methylprop-2-enimidoyl fluoride (PubChem CID 148538082) has the molecular formula C4H7FN2 and a molecular weight of 102.11 g/mol. Its IUPAC name is 3-amino-2-methylprop-2-enimidoyl fluoride.

Molecular Properties

Compound Name3-amino-2-methylprop-2-enimidoyl fluoride
PubChem CID148538082
Molecular FormulaC4H7FN2
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name3-amino-2-methylprop-2-enimidoyl fluoride
SMILES[H]/N=C(\F)C(C)=CN
InChIInChI=1S/C4H7FN2/c1-3(2-6)4(5)7/h2,7H,6H2,1H3/b3-2?,7-4-
InChIKeyNTIHMVKCKBIDGX-JZABDGQBSA-N
XLogP0.80
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-amino-2-methylprop-2-enimidoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylprop-2-enimidoyl fluoride?
The IUPAC name of 3-amino-2-methylprop-2-enimidoyl fluoride (CID 148538082) is 3-amino-2-methylprop-2-enimidoyl fluoride.
What is the SMILES notation for 3-amino-2-methylprop-2-enimidoyl fluoride?
The canonical SMILES for 3-amino-2-methylprop-2-enimidoyl fluoride is [H]/N=C(\F)C(C)=CN.
What is the InChIKey of 3-amino-2-methylprop-2-enimidoyl fluoride?
The InChIKey is NTIHMVKCKBIDGX-JZABDGQBSA-N. The full InChI is InChI=1S/C4H7FN2/c1-3(2-6)4(5)7/h2,7H,6H2,1H3/b3-2?,7-4-.
What are the key properties of 3-amino-2-methylprop-2-enimidoyl fluoride?
3-amino-2-methylprop-2-enimidoyl fluoride has a molecular weight of 102.11 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methylprop-2-enimidoyl fluoride is sourced from PubChem (CID 148538082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).