(E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid

C3H6FN3O2 — CID 146299600

IUPAC(E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid
SMILESNN/C(C(=O)O)=C(\N)F
InChIInChI=1S/C3H6FN3O2/c4-2(5)1(7-6)3(8)9/h7H,5-6H2,(H,8,9)/b2-1-
InChIKeyCAIVJRNREFRCPZ-UPHRSURJSA-N
MW135.10 g/mol
LogP-1.37
Rot. Bonds2

About (E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid

(E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid (PubChem CID 146299600) has the molecular formula C3H6FN3O2 and a molecular weight of 135.10 g/mol. Its IUPAC name is (E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid
PubChem CID146299600
Molecular FormulaC3H6FN3O2
Molecular Weight135.10 g/mol
Exact Mass135.04
IUPAC Name(E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid
SMILESNN/C(C(=O)O)=C(\N)F
InChIInChI=1S/C3H6FN3O2/c4-2(5)1(7-6)3(8)9/h7H,5-6H2,(H,8,9)/b2-1-
InChIKeyCAIVJRNREFRCPZ-UPHRSURJSA-N
XLogP-1.37
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.10
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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 (E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid?
The IUPAC name of (E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid (CID 146299600) is (E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid.
What is the SMILES notation for (E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid?
The canonical SMILES for (E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid is NN/C(C(=O)O)=C(\N)F.
What is the InChIKey of (E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid?
The InChIKey is CAIVJRNREFRCPZ-UPHRSURJSA-N. The full InChI is InChI=1S/C3H6FN3O2/c4-2(5)1(7-6)3(8)9/h7H,5-6H2,(H,8,9)/b2-1-.
What are the key properties of (E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid?
(E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid has a molecular weight of 135.10 g/mol, XLogP of -1.37, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-3-fluoro-2-hydrazinylprop-2-enoic acid is sourced from PubChem (CID 146299600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).