methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate

C9H7Cl2FN2O2 — CID 171522886

IUPACmethyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C(Cl)=N/Nc1cccc(Cl)c1F
InChIInChI=1S/C9H7Cl2FN2O2/c1-16-9(15)8(11)14-13-6-4-2-3-5(10)7(6)12/h2-4,13H,1H3/b14-8-
InChIKeyLJJAJFIILQNNLF-ZSOIEALJSA-N
MW265.07 g/mol
LogP2.62
Rot. Bonds3

About methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate

methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate (PubChem CID 171522886) has the molecular formula C9H7Cl2FN2O2 and a molecular weight of 265.07 g/mol. Its IUPAC name is methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate
PubChem CID171522886
Molecular FormulaC9H7Cl2FN2O2
Molecular Weight265.07 g/mol
Exact Mass263.99
IUPAC Namemethyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate
SMILESCOC(=O)/C(Cl)=N/Nc1cccc(Cl)c1F
InChIInChI=1S/C9H7Cl2FN2O2/c1-16-9(15)8(11)14-13-6-4-2-3-5(10)7(6)12/h2-4,13H,1H3/b14-8-
InChIKeyLJJAJFIILQNNLF-ZSOIEALJSA-N
XLogP2.62
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 52.62
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

(2E)-2-chloro-2-[(2-chlorophenyl)hydrazinylidene]acetic acid
CID 87583449
(3-chloro-2-fluorophenyl)urea
CID 28969166
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698
4-amino-N-(3-chloro-2-fluorophenyl)-3-methoxybutanamide
CID 103154278
N-(3-chloro-2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604948
methyl 4-[(3-chloro-2-fluorophenyl)carbamothioylamino]benzoate
CID 53488647
benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate
CID 44891149
N-tert-butyl-2-(3-chloro-2-fluoroanilino)acetamide
CID 28879721
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
tert-butyl 3-(3-chloro-2-fluorophenyl)-3-oxopropanoate
CID 170857454
ethyl 5-amino-2-(3-chloro-2-fluoroanilino)benzoate
CID 63425405
tert-butyl N-[4-(3-chloro-2-fluoroanilino)cyclohexyl]carbamate
CID 103715400

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate?
The IUPAC name of methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate (CID 171522886) is methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate.
What is the SMILES notation for methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate?
The canonical SMILES for methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate is COC(=O)/C(Cl)=N/Nc1cccc(Cl)c1F.
What is the InChIKey of methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate?
The InChIKey is LJJAJFIILQNNLF-ZSOIEALJSA-N. The full InChI is InChI=1S/C9H7Cl2FN2O2/c1-16-9(15)8(11)14-13-6-4-2-3-5(10)7(6)12/h2-4,13H,1H3/b14-8-.
What are the key properties of methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate?
methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate has a molecular weight of 265.07 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-chloro-2-[(3-chloro-2-fluorophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 171522886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).