N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride

C12H12Cl3F3N2O — CID 86743925

IUPACN-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride
SMILESCC(C)(C)C(Cl)=NNc1c(Cl)cc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C12H12Cl3F3N2O/c1-11(2,3)10(15)20-19-9-7(13)4-6(5-8(9)14)21-12(16,17)18/h4-5,19H,1-3H3
InChIKeyYODHOXOEMPQLKA-UHFFFAOYSA-N
MW363.59 g/mol
LogP5.90
Rot. Bonds3

About N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride

N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride (PubChem CID 86743925) has the molecular formula C12H12Cl3F3N2O and a molecular weight of 363.59 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride
PubChem CID86743925
Molecular FormulaC12H12Cl3F3N2O
Molecular Weight363.59 g/mol
Exact Mass362.00
IUPAC NameN-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride
SMILESCC(C)(C)C(Cl)=NNc1c(Cl)cc(OC(F)(F)F)cc1Cl
InChIInChI=1S/C12H12Cl3F3N2O/c1-11(2,3)10(15)20-19-9-7(13)4-6(5-8(9)14)21-12(16,17)18/h4-5,19H,1-3H3
InChIKeyYODHOXOEMPQLKA-UHFFFAOYSA-N
XLogP5.90
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.59
LogP ≤ 55.90
H-Bond Donors ≤ 51
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 N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride?
The IUPAC name of N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride (CID 86743925) is N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride.
What is the SMILES notation for N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride?
The canonical SMILES for N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride is CC(C)(C)C(Cl)=NNc1c(Cl)cc(OC(F)(F)F)cc1Cl.
What is the InChIKey of N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride?
The InChIKey is YODHOXOEMPQLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl3F3N2O/c1-11(2,3)10(15)20-19-9-7(13)4-6(5-8(9)14)21-12(16,17)18/h4-5,19H,1-3H3.
What are the key properties of N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride?
N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride has a molecular weight of 363.59 g/mol, XLogP of 5.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-2,2-dimethylpropanehydrazonoyl chloride is sourced from PubChem (CID 86743925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).