[2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine

C7H4Cl3F3N2 — CID 13127485

IUPAC[2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine
SMILESNNc1c(Cl)cc(C(F)(F)F)c(Cl)c1Cl
InChIInChI=1S/C7H4Cl3F3N2/c8-3-1-2(7(11,12)13)4(9)5(10)6(3)15-14/h1,15H,14H2
InChIKeyWNAGVMRWPDSQKD-UHFFFAOYSA-N
MW279.48 g/mol
LogP3.95
Rot. Bonds1

About [2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine

[2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine (PubChem CID 13127485) has the molecular formula C7H4Cl3F3N2 and a molecular weight of 279.48 g/mol. Its IUPAC name is [2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine
PubChem CID13127485
Molecular FormulaC7H4Cl3F3N2
Molecular Weight279.48 g/mol
Exact Mass277.94
IUPAC Name[2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine
SMILESNNc1c(Cl)cc(C(F)(F)F)c(Cl)c1Cl
InChIInChI=1S/C7H4Cl3F3N2/c8-3-1-2(7(11,12)13)4(9)5(10)6(3)15-14/h1,15H,14H2
InChIKeyWNAGVMRWPDSQKD-UHFFFAOYSA-N
XLogP3.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine 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 [2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of [2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine (CID 13127485) is [2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for [2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for [2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine is NNc1c(Cl)cc(C(F)(F)F)c(Cl)c1Cl.
What is the InChIKey of [2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine?
The InChIKey is WNAGVMRWPDSQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl3F3N2/c8-3-1-2(7(11,12)13)4(9)5(10)6(3)15-14/h1,15H,14H2.
What are the key properties of [2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine?
[2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine has a molecular weight of 279.48 g/mol, XLogP of 3.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,6-trichloro-4-(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 13127485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).