2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide

C14H19F3N2O — CID 178067829

IUPAC2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide
SMILESCCC(C)(C)C(=O)N(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-4-13(2,3)12(20)19(18)9-10-5-7-11(8-6-10)14(15,16)17/h5-8H,4,9,18H2,1-3H3
InChIKeyJBFXBGVNVPQLEX-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.34
Rot. Bonds4

About 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide

2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide (PubChem CID 178067829) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide
PubChem CID178067829
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide
SMILESCCC(C)(C)C(=O)N(N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H19F3N2O/c1-4-13(2,3)12(20)19(18)9-10-5-7-11(8-6-10)14(15,16)17/h5-8H,4,9,18H2,1-3H3
InChIKeyJBFXBGVNVPQLEX-UHFFFAOYSA-N
XLogP3.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.34
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'}

Analyze 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide 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 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide?
The IUPAC name of 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide (CID 178067829) is 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide.
What is the SMILES notation for 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide?
The canonical SMILES for 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide is CCC(C)(C)C(=O)N(N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide?
The InChIKey is JBFXBGVNVPQLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-4-13(2,3)12(20)19(18)9-10-5-7-11(8-6-10)14(15,16)17/h5-8H,4,9,18H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide?
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide has a molecular weight of 288.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanehydrazide is sourced from PubChem (CID 178067829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).