1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine

C9H10F3N3O2 — CID 2851486

IUPAC1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
SMILESCN(C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10F3N3O2/c1-14(2)13-7-4-3-6(9(10,11)12)5-8(7)15(16)17/h3-5,13H,1-2H3
InChIKeyNUOLTZCFCVFMFT-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.50
Rot. Bonds3

About 1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine

1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine (PubChem CID 2851486) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine.

Molecular Properties

Compound Name1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
PubChem CID2851486
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine
SMILESCN(C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10F3N3O2/c1-14(2)13-7-4-3-6(9(10,11)12)5-8(7)15(16)17/h3-5,13H,1-2H3
InChIKeyNUOLTZCFCVFMFT-UHFFFAOYSA-N
XLogP2.50
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine?
The IUPAC name of 1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine (CID 2851486) is 1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine.
What is the SMILES notation for 1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine?
The canonical SMILES for 1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine is CN(C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of 1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine?
The InChIKey is NUOLTZCFCVFMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c1-14(2)13-7-4-3-6(9(10,11)12)5-8(7)15(16)17/h3-5,13H,1-2H3.
What are the key properties of 1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine?
1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine has a molecular weight of 249.19 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[2-nitro-4-(trifluoromethyl)phenyl]hydrazine is sourced from PubChem (CID 2851486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).