oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine

C9H9F3N2O4 — CID 175007538

IUPACoxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine
SMILESFC(F)(F)NNc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C7H7F3N2.C2H2O4/c8-7(9,10)12-11-6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5,11-12H;(H,3,4)(H,5,6)
InChIKeyPWXMGFKAFAQJLI-UHFFFAOYSA-N
MW266.18 g/mol
LogP1.28
Rot. Bonds2

About oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine

oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine (PubChem CID 175007538) has the molecular formula C9H9F3N2O4 and a molecular weight of 266.18 g/mol. Its IUPAC name is oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine.

Molecular Properties

Compound Nameoxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine
PubChem CID175007538
Molecular FormulaC9H9F3N2O4
Molecular Weight266.18 g/mol
Exact Mass266.05
IUPAC Nameoxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine
SMILESFC(F)(F)NNc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C7H7F3N2.C2H2O4/c8-7(9,10)12-11-6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5,11-12H;(H,3,4)(H,5,6)
InChIKeyPWXMGFKAFAQJLI-UHFFFAOYSA-N
XLogP1.28
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine 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

1-phenyl-2-(trifluoromethyl)hydrazine
CID 7566955
1-(4-fluorophenyl)-2-(trifluoromethyl)hydrazine
CID 137320332
phenylhydrazine;bis(2,2,2-trifluoroacetic acid)
CID 162301576
2-fluoro-N'-phenylacetohydrazide
CID 16862
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
1,3-bis(2-phenylhydrazinyl)urea
CID 151828503
boric acid;tris(N-(trifluoromethyl)aniline)
CID 175092483
N-anilinocarbamoyl chloride
CID 57449233
1-phenyl-2-[4-(2-phenylhydrazinyl)phenyl]hydrazine
CID 169215100
1,2-diphenylhydrazine;hydrobromide
CID 162337860
3-[2-(4-fluorophenyl)hydrazinyl]-2-(phenylhydrazinylidene)propanoic acid
CID 141384701
1-anilino-3-hydroxyurea
CID 2763972

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine?
The IUPAC name of oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine (CID 175007538) is oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine.
What is the SMILES notation for oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine?
The canonical SMILES for oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine is FC(F)(F)NNc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine?
The InChIKey is PWXMGFKAFAQJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2.C2H2O4/c8-7(9,10)12-11-6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5,11-12H;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine?
oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine has a molecular weight of 266.18 g/mol, XLogP of 1.28, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-phenyl-2-(trifluoromethyl)hydrazine is sourced from PubChem (CID 175007538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).