3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid

C15H11F3N2O2 — CID 59021950

IUPAC3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1cccc(/C=N/Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)12-6-1-2-7-13(12)20-19-9-10-4-3-5-11(8-10)14(21)22/h1-9,20H,(H,21,22)/b19-9+
InChIKeySHOIULRCNGPDAD-DJKKODMXSA-N
MW308.26 g/mol
LogP3.85
Rot. Bonds4

About 3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid

3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 59021950) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
PubChem CID59021950
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid
SMILESO=C(O)c1cccc(/C=N/Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)12-6-1-2-7-13(12)20-19-9-10-4-3-5-11(8-10)14(21)22/h1-9,20H,(H,21,22)/b19-9+
InChIKeySHOIULRCNGPDAD-DJKKODMXSA-N
XLogP3.85
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic 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

N-[(Z)-benzylideneamino]-2-(trifluoromethyl)aniline
CID 6305730
2-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 3511340
2-nitro-4-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135622227
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-(trifluoromethyl)aniline
CID 71145987
3-[[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]benzoic acid
CID 3381171
3-chloro-5-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzene-1,2-diol
CID 135819465
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(trifluoromethyl)aniline
CID 6187772
4-[(Z)-[[2-(trifluoromethyl)phenyl]carbamothioylhydrazinylidene]methyl]benzoic acid
CID 6016961
3-[(carbamothioylhydrazinylidene)methyl]benzoic acid
CID 71395516
2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 75665244
3-[2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 4675648
2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid (CID 59021950) is 3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid is O=C(O)c1cccc(/C=N/Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is SHOIULRCNGPDAD-DJKKODMXSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)12-6-1-2-7-13(12)20-19-9-10-4-3-5-11(8-10)14(21)22/h1-9,20H,(H,21,22)/b19-9+.
What are the key properties of 3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid?
3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 308.26 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 59021950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).