(E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid

C10H10F3N3O4 — CID 142618625

IUPAC(E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid
SMILESNN/C(C(=O)O)=C(\N)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H10F3N3O4/c11-10(12,13)20-6-3-1-5(2-4-6)19-8(14)7(16-15)9(17)18/h1-4,16H,14-15H2,(H,17,18)/b8-7+
InChIKeySGFRHAZUZKYNHM-BQYQJAHWSA-N
MW293.20 g/mol
LogP0.64
Rot. Bonds5

About (E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid

(E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid (PubChem CID 142618625) has the molecular formula C10H10F3N3O4 and a molecular weight of 293.20 g/mol. Its IUPAC name is (E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid
PubChem CID142618625
Molecular FormulaC10H10F3N3O4
Molecular Weight293.20 g/mol
Exact Mass293.06
IUPAC Name(E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid
SMILESNN/C(C(=O)O)=C(\N)Oc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H10F3N3O4/c11-10(12,13)20-6-3-1-5(2-4-6)19-8(14)7(16-15)9(17)18/h1-4,16H,14-15H2,(H,17,18)/b8-7+
InChIKeySGFRHAZUZKYNHM-BQYQJAHWSA-N
XLogP0.64
TPSA119.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid with MolForge

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

Launch Full Analysis

Related Compounds

[4-(trifluoromethoxy)phenyl] N-aminocarbamate
CID 143175748
(E)-3-amino-2-hydrazinyl-3-[[5-(trifluoromethoxy)-2,3-dihydro-1H-inden-2-yl]oxy]prop-2-enoic acid
CID 142617773
(Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid
CID 142618437
(E)-3-amino-2-hydrazinyl-3-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]sulfanylprop-2-enoic acid
CID 142618046
(E)-3-amino-3-[4-cyano-4-[4-(trifluoromethoxy)phenyl]cyclohexyl]oxy-2-hydrazinylprop-2-enoic acid
CID 142617885
(E)-3-amino-3-cyclohexylsulfanyl-2-hydrazinylprop-2-enoic acid;1-chloro-4-(trifluoromethoxy)benzene
CID 142618583
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
(E)-3-amino-2-hydrazinyl-3-[4-[5-(trifluoromethoxy)-2-pyridinyl]phenyl]sulfanylprop-2-enoic acid
CID 142618533
2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141051034
ethyl (E)-3-amino-2-hydrazinyl-3-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]prop-2-enoate
CID 155746338

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid?
The IUPAC name of (E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid (CID 142618625) is (E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid.
What is the SMILES notation for (E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid?
The canonical SMILES for (E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid is NN/C(C(=O)O)=C(\N)Oc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid?
The InChIKey is SGFRHAZUZKYNHM-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H10F3N3O4/c11-10(12,13)20-6-3-1-5(2-4-6)19-8(14)7(16-15)9(17)18/h1-4,16H,14-15H2,(H,17,18)/b8-7+.
What are the key properties of (E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid?
(E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid has a molecular weight of 293.20 g/mol, XLogP of 0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid is sourced from PubChem (CID 142618625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).