N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide

C10H11F3N2O — CID 87216278

IUPACN-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide
SMILESCc1ccc(N(N)C(=O)C(F)(F)F)c(C)c1
InChIInChI=1S/C10H11F3N2O/c1-6-3-4-8(7(2)5-6)15(14)9(16)10(11,12)13/h3-5H,14H2,1-2H3
InChIKeyNKOGHLLTVMZTNG-UHFFFAOYSA-N
MW232.21 g/mol
LogP2.07
Rot. Bonds1

About N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide

N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide (PubChem CID 87216278) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide
PubChem CID87216278
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC NameN-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide
SMILESCc1ccc(N(N)C(=O)C(F)(F)F)c(C)c1
InChIInChI=1S/C10H11F3N2O/c1-6-3-4-8(7(2)5-6)15(14)9(16)10(11,12)13/h3-5H,14H2,1-2H3
InChIKeyNKOGHLLTVMZTNG-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide?
The IUPAC name of N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide (CID 87216278) is N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide is Cc1ccc(N(N)C(=O)C(F)(F)F)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide?
The InChIKey is NKOGHLLTVMZTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6-3-4-8(7(2)5-6)15(14)9(16)10(11,12)13/h3-5H,14H2,1-2H3.
What are the key properties of N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide?
N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide has a molecular weight of 232.21 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2,2,2-trifluoroacetohydrazide is sourced from PubChem (CID 87216278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).