3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide

C11H13F3N2O4 — CID 103229408

IUPAC3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
SMILESCOCC(Oc1ccc(OC(F)(F)F)cc1)C(=O)NN
InChIInChI=1S/C11H13F3N2O4/c1-18-6-9(10(17)16-15)19-7-2-4-8(5-3-7)20-11(12,13)14/h2-5,9H,6,15H2,1H3,(H,16,17)
InChIKeyBKANQYXCCZNUJA-UHFFFAOYSA-N
MW294.23 g/mol
LogP0.97
Rot. Bonds6

About 3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide

3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide (PubChem CID 103229408) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is 3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
PubChem CID103229408
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
SMILESCOCC(Oc1ccc(OC(F)(F)F)cc1)C(=O)NN
InChIInChI=1S/C11H13F3N2O4/c1-18-6-9(10(17)16-15)19-7-2-4-8(5-3-7)20-11(12,13)14/h2-5,9H,6,15H2,1H3,(H,16,17)
InChIKeyBKANQYXCCZNUJA-UHFFFAOYSA-N
XLogP0.97
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide
CID 107718981
2-[4-(trifluoromethyl)phenoxy]pentanehydrazide
CID 83047631
2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
CID 103229405
(2R)-2-amino-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide;hydrochloride
CID 54757279
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
2-(2,5-difluorophenoxy)-3-methoxypropanehydrazide
CID 103229333
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
2-(2-bromophenoxy)-3-methoxypropanehydrazide
CID 103229243
[4-(trifluoromethoxy)phenyl] N-aminocarbamate
CID 143175748
ethyl 2-fluoro-2-[4-(trifluoromethoxy)phenoxy]acetate
CID 113497366
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
methyl (2R,3R)-3-hydroxy-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 11608837

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide?
The IUPAC name of 3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide (CID 103229408) is 3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide.
What is the SMILES notation for 3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide?
The canonical SMILES for 3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide is COCC(Oc1ccc(OC(F)(F)F)cc1)C(=O)NN.
What is the InChIKey of 3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide?
The InChIKey is BKANQYXCCZNUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c1-18-6-9(10(17)16-15)19-7-2-4-8(5-3-7)20-11(12,13)14/h2-5,9H,6,15H2,1H3,(H,16,17).
What are the key properties of 3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide?
3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide has a molecular weight of 294.23 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide is sourced from PubChem (CID 103229408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).