3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate

C15H10F3N2O2- — CID 7529688

IUPAC3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate
SMILESO=C([O-])c1cccc(N/N=C\c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)12-6-4-10(5-7-12)9-19-20-13-3-1-2-11(8-13)14(21)22/h1-9,20H,(H,21,22)/p-1/b19-9-
InChIKeyIQIRDIYMHAENGM-OCKHKDLRSA-M
MW307.25 g/mol
LogP2.51
Rot. Bonds4

About 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate

3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate (PubChem CID 7529688) has the molecular formula C15H10F3N2O2- and a molecular weight of 307.25 g/mol. Its IUPAC name is 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate
PubChem CID7529688
Molecular FormulaC15H10F3N2O2-
Molecular Weight307.25 g/mol
Exact Mass307.07
IUPAC Name3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate
SMILESO=C([O-])c1cccc(N/N=C\c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H11F3N2O2/c16-15(17,18)12-6-4-10(5-7-12)9-19-20-13-3-1-2-11(8-13)14(21)22/h1-9,20H,(H,21,22)/p-1/b19-9-
InChIKeyIQIRDIYMHAENGM-OCKHKDLRSA-M
XLogP2.51
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]benzoate
CID 7065216
3-[2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
CID 78596939
3-[(2Z)-2-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylidene]hydrazinyl]benzoate
CID 7955313
3-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]benzoate
CID 7066819
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790
3-[4-[(phenylhydrazinylidene)methyl]phenyl]-5-(trifluoromethyl)benzoic acid
CID 169382658
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
3-[(2E)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505202
4-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]benzoate
CID 7256534
3-[(2Z)-2-[[3-methoxy-4-(thiophene-2-carbonyloxy)phenyl]methylidene]hydrazinyl]benzoate
CID 7786687
2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 75665244
3-[(2Z)-2-[(2-ethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7992359

Frequently Asked Questions

What is the IUPAC name of 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate?
The IUPAC name of 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate (CID 7529688) is 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate?
The canonical SMILES for 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate is O=C([O-])c1cccc(N/N=C\c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate?
The InChIKey is IQIRDIYMHAENGM-OCKHKDLRSA-M. The full InChI is InChI=1S/C15H11F3N2O2/c16-15(17,18)12-6-4-10(5-7-12)9-19-20-13-3-1-2-11(8-13)14(21)22/h1-9,20H,(H,21,22)/p-1/b19-9-.
What are the key properties of 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate?
3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate has a molecular weight of 307.25 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z)-2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7529688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).