2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide

C12H15FN2O4 — CID 107718981

IUPAC2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc(C(C)=O)c(F)c1)C(=O)NN
InChIInChI=1S/C12H15FN2O4/c1-7(16)9-4-3-8(5-10(9)13)19-11(6-18-2)12(17)15-14/h3-5,11H,6,14H2,1-2H3,(H,15,17)
InChIKeyNMZKBBDPEOPMTA-UHFFFAOYSA-N
MW270.26 g/mol
LogP0.41
Rot. Bonds6

About 2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide

2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide (PubChem CID 107718981) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide.

Molecular Properties

Compound Name2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide
PubChem CID107718981
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide
SMILESCOCC(Oc1ccc(C(C)=O)c(F)c1)C(=O)NN
InChIInChI=1S/C12H15FN2O4/c1-7(16)9-4-3-8(5-10(9)13)19-11(6-18-2)12(17)15-14/h3-5,11H,6,14H2,1-2H3,(H,15,17)
InChIKeyNMZKBBDPEOPMTA-UHFFFAOYSA-N
XLogP0.41
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.41
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-(3-fluoro-4-methylphenoxy)-3-methoxypropanehydrazide
CID 107171064
2-(3-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229222
3-methoxy-2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
CID 103229408
2-(2,5-difluorophenoxy)-3-methoxypropanehydrazide
CID 103229333
2-(3-bromophenoxy)-3-methoxypropanehydrazide
CID 103229217
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanone
CID 22363866
2-(2-bromo-4-methoxyphenoxy)-3-methoxypropanehydrazide
CID 103229405
2-(2-chloro-4-fluorophenoxy)-3-methoxypropanehydrazide
CID 103229273
3-(4-acetyl-3-fluorophenoxy)butan-2-one
CID 107717446
2-(4-acetyl-3-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 107719421
2-(2-fluoro-4-nitrophenoxy)-3-methoxypropanehydrazide
CID 103229297

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide?
The IUPAC name of 2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide (CID 107718981) is 2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide.
What is the SMILES notation for 2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide?
The canonical SMILES for 2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide is COCC(Oc1ccc(C(C)=O)c(F)c1)C(=O)NN.
What is the InChIKey of 2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide?
The InChIKey is NMZKBBDPEOPMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-7(16)9-4-3-8(5-10(9)13)19-11(6-18-2)12(17)15-14/h3-5,11H,6,14H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide?
2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide has a molecular weight of 270.26 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-3-fluorophenoxy)-3-methoxypropanehydrazide is sourced from PubChem (CID 107718981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).