2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate

C17H14F3N2O4- — CID 8972331

IUPAC2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate
SMILESCOc1ccc(/C=N\Nc2ccccc2C(F)(F)F)c(C(=O)[O-])c1OC
InChIInChI=1S/C17H15F3N2O4/c1-25-13-8-7-10(14(16(23)24)15(13)26-2)9-21-22-12-6-4-3-5-11(12)17(18,19)20/h3-9,22H,1-2H3,(H,23,24)/p-1/b21-9-
InChIKeyLOTXIBFVHIJBMW-NKVSQWTQSA-M
MW367.30 g/mol
LogP2.53
Rot. Bonds6

About 2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate

2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate (PubChem CID 8972331) has the molecular formula C17H14F3N2O4- and a molecular weight of 367.30 g/mol. Its IUPAC name is 2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate
PubChem CID8972331
Molecular FormulaC17H14F3N2O4-
Molecular Weight367.30 g/mol
Exact Mass367.09
IUPAC Name2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate
SMILESCOc1ccc(/C=N\Nc2ccccc2C(F)(F)F)c(C(=O)[O-])c1OC
InChIInChI=1S/C17H15F3N2O4/c1-25-13-8-7-10(14(16(23)24)15(13)26-2)9-21-22-12-6-4-3-5-11(12)17(18,19)20/h3-9,22H,1-2H3,(H,23,24)/p-1/b21-9-
InChIKeyLOTXIBFVHIJBMW-NKVSQWTQSA-M
XLogP2.53
TPSA82.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-methoxy-6-[(E)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 135675966
6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate
CID 4519390
6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate
CID 8979033
6-[(Z)-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate
CID 8974652
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(trifluoromethyl)aniline
CID 3976623
2,3-dimethoxy-6-[(Z)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]benzoate
CID 8978984
3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7066821
2,3-dimethoxy-6-[(Z)-[(2-methoxyphenyl)carbamothioylhydrazinylidene]methyl]benzoic acid
CID 8978898
2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 5136185
2,3-dimethoxy-6-[(Z)-[(4-propan-2-ylphenyl)carbamothioylhydrazinylidene]methyl]benzoate
CID 8979058
2,3-dimethoxy-6-[(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6795285
2,3-dimethoxy-6-[(Z)-(phthalazin-1-ylhydrazinylidene)methyl]benzoic acid
CID 6412287

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of 2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate (CID 8972331) is 2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for 2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate is COc1ccc(/C=N\Nc2ccccc2C(F)(F)F)c(C(=O)[O-])c1OC.
What is the InChIKey of 2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate?
The InChIKey is LOTXIBFVHIJBMW-NKVSQWTQSA-M. The full InChI is InChI=1S/C17H15F3N2O4/c1-25-13-8-7-10(14(16(23)24)15(13)26-2)9-21-22-12-6-4-3-5-11(12)17(18,19)20/h3-9,22H,1-2H3,(H,23,24)/p-1/b21-9-.
What are the key properties of 2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate?
2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate has a molecular weight of 367.30 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-[(Z)-[[2-(trifluoromethyl)phenyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 8972331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).