2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide

C11H13F3N2O2 — CID 115465158

IUPAC2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1COCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)7-18-6-9-4-2-1-3-8(9)5-10(17)16-15/h1-4H,5-7,15H2,(H,16,17)
InChIKeyZIUNSOMDQRFXSY-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.30
Rot. Bonds5

About 2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide

2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide (PubChem CID 115465158) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide
PubChem CID115465158
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1COCC(F)(F)F
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)7-18-6-9-4-2-1-3-8(9)5-10(17)16-15/h1-4H,5-7,15H2,(H,16,17)
InChIKeyZIUNSOMDQRFXSY-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3,3,3-trifluoropropoxymethyl)phenyl]acetohydrazide
CID 82957174
2-[2-(pentoxymethyl)phenyl]acetohydrazide
CID 115465239
methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate
CID 106939943
2-[2-(2-pyridin-2-ylethoxymethyl)phenyl]acetohydrazide
CID 115465175
N-methyl-2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]ethanamine
CID 113314819
2-[2-[(3-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 115465202
2-[2-[(2,6-dibromophenoxy)methyl]phenyl]acetohydrazide
CID 115465209
2-[2-[(2-methylsulfanylphenoxy)methyl]phenyl]acetohydrazide
CID 115465259
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
1-[(2-methylphenyl)methyl]-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24612899
2-[2-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
CID 115465587
2,2,2-trifluoroethyl 2-(2-aminophenyl)acetate
CID 28689944

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide?
The IUPAC name of 2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide (CID 115465158) is 2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide is NNC(=O)Cc1ccccc1COCC(F)(F)F.
What is the InChIKey of 2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide?
The InChIKey is ZIUNSOMDQRFXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)7-18-6-9-4-2-1-3-8(9)5-10(17)16-15/h1-4H,5-7,15H2,(H,16,17).
What are the key properties of 2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide?
2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide has a molecular weight of 262.23 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2,2-trifluoroethoxymethyl)phenyl]acetohydrazide is sourced from PubChem (CID 115465158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).