1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine

C8H6ClF3N4O4 — CID 13101279

IUPAC1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine
SMILESCNNc1c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H6ClF3N4O4/c1-13-14-6-4(15(17)18)2-3(8(10,11)12)5(9)7(6)16(19)20/h2,13-14H,1H3
InChIKeyXQLGDGYBAOKEFK-UHFFFAOYSA-N
MW314.61 g/mol
LogP2.72
Rot. Bonds4

About 1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine

1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine (PubChem CID 13101279) has the molecular formula C8H6ClF3N4O4 and a molecular weight of 314.61 g/mol. Its IUPAC name is 1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine.

Molecular Properties

Compound Name1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine
PubChem CID13101279
Molecular FormulaC8H6ClF3N4O4
Molecular Weight314.61 g/mol
Exact Mass314.00
IUPAC Name1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine
SMILESCNNc1c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H6ClF3N4O4/c1-13-14-6-4(15(17)18)2-3(8(10,11)12)5(9)7(6)16(19)20/h2,13-14H,1H3
InChIKeyXQLGDGYBAOKEFK-UHFFFAOYSA-N
XLogP2.72
TPSA110.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.61
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine?
The IUPAC name of 1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine (CID 13101279) is 1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine.
What is the SMILES notation for 1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine?
The canonical SMILES for 1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine is CNNc1c([N+](=O)[O-])cc(C(F)(F)F)c(Cl)c1[N+](=O)[O-].
What is the InChIKey of 1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine?
The InChIKey is XQLGDGYBAOKEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N4O4/c1-13-14-6-4(15(17)18)2-3(8(10,11)12)5(9)7(6)16(19)20/h2,13-14H,1H3.
What are the key properties of 1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine?
1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine has a molecular weight of 314.61 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazine is sourced from PubChem (CID 13101279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).