chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate

C11H10Cl3F3N2O2 — CID 157203688

IUPACchloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate
SMILESCCCl.NN=CC(=O)Oc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H5Cl2F3N2O2.C2H5Cl/c10-5-1-4(9(12,13)14)2-6(11)8(5)18-7(17)3-16-15;1-2-3/h1-3H,15H2;2H2,1H3
InChIKeyARCDDTDKLGUYHZ-UHFFFAOYSA-N
MW365.57 g/mol
LogP4.11
Rot. Bonds2

About chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate

chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate (PubChem CID 157203688) has the molecular formula C11H10Cl3F3N2O2 and a molecular weight of 365.57 g/mol. Its IUPAC name is chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate.

Molecular Properties

Compound Namechloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate
PubChem CID157203688
Molecular FormulaC11H10Cl3F3N2O2
Molecular Weight365.57 g/mol
Exact Mass363.98
IUPAC Namechloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate
SMILESCCCl.NN=CC(=O)Oc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H5Cl2F3N2O2.C2H5Cl/c10-5-1-4(9(12,13)14)2-6(11)8(5)18-7(17)3-16-15;1-2-3/h1-3H,15H2;2H2,1H3
InChIKeyARCDDTDKLGUYHZ-UHFFFAOYSA-N
XLogP4.11
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.57
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate 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

(1E)-1-[(E)-4-amino-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-3-en-2-ylidene]-3-(2-oxoethyl)urea
CID 88953041
ethyl 2,6-dichloro-4-(trifluoromethyl)benzenesulfonate
CID 18338302
ethyl 4-[2,6-dichloro-4-(trifluoromethyl)phenyl]but-3-ynoate
CID 170472079
1-[(Z)-4-amino-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-en-2-yl]-3-ethylurea
CID 153099836
2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]ethanone
CID 171030308
2,6-dichloro-4-(trifluoromethyl)aniline;ethyl 2-(sulfonylamino)acetate
CID 174832456
methyl 3-[N-amino-2,6-dichloro-4-(trifluoromethyl)anilino]prop-2-enoate
CID 54469910
2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine
CID 173471874
ethyl 3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-1-methylpyrazole-4-carboxylate
CID 139934938
ethyl 2-[2-chloro-4-(trifluoromethyl)phenyl]acetate
CID 146013675
methyl 2-[[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazinylidene]butanoate
CID 169209861
ethyl (3R)-3-amino-3-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 171209232

Frequently Asked Questions

What is the IUPAC name of chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate?
The IUPAC name of chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate (CID 157203688) is chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate.
What is the SMILES notation for chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate?
The canonical SMILES for chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate is CCCl.NN=CC(=O)Oc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate?
The InChIKey is ARCDDTDKLGUYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F3N2O2.C2H5Cl/c10-5-1-4(9(12,13)14)2-6(11)8(5)18-7(17)3-16-15;1-2-3/h1-3H,15H2;2H2,1H3.
What are the key properties of chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate?
chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate has a molecular weight of 365.57 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate is sourced from PubChem (CID 157203688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).