2-(2-cyano-3-fluorophenoxy)acetohydrazide

C9H8FN3O2 — CID 63569107

IUPAC2-(2-cyano-3-fluorophenoxy)acetohydrazide
SMILESN#Cc1c(F)cccc1OCC(=O)NN
InChIInChI=1S/C9H8FN3O2/c10-7-2-1-3-8(6(7)4-11)15-5-9(14)13-12/h1-3H,5,12H2,(H,13,14)
InChIKeyCBNUHPLRXRQWRR-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.07
Rot. Bonds3

About 2-(2-cyano-3-fluorophenoxy)acetohydrazide

2-(2-cyano-3-fluorophenoxy)acetohydrazide (PubChem CID 63569107) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-(2-cyano-3-fluorophenoxy)acetohydrazide.

Molecular Properties

Compound Name2-(2-cyano-3-fluorophenoxy)acetohydrazide
PubChem CID63569107
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name2-(2-cyano-3-fluorophenoxy)acetohydrazide
SMILESN#Cc1c(F)cccc1OCC(=O)NN
InChIInChI=1S/C9H8FN3O2/c10-7-2-1-3-8(6(7)4-11)15-5-9(14)13-12/h1-3H,5,12H2,(H,13,14)
InChIKeyCBNUHPLRXRQWRR-UHFFFAOYSA-N
XLogP0.07
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-cyano-3-fluorophenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 62032180
2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide
CID 63569285
2-fluoro-6-(2-oxo-3-phenylpropoxy)benzonitrile
CID 62034545
2-[2-(2-chlorophenyl)-2-oxoethoxy]-6-fluorobenzonitrile
CID 62033638
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
CID 103337913
2-fluoro-6-[3-(methoxymethoxymethyl)-2-methylidenebut-3-enoxy]benzonitrile
CID 143156955
2-fluoro-6-[(4-fluorophenyl)methoxy]benzonitrile
CID 24777146
2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
CID 69356263
2-(3-chloro-2-cyanophenoxy)-N-(4-chlorophenyl)acetamide
CID 79031984
2-but-3-ynoxy-6-fluorobenzonitrile
CID 63656850
2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-3-fluorophenoxy)acetohydrazide?
The IUPAC name of 2-(2-cyano-3-fluorophenoxy)acetohydrazide (CID 63569107) is 2-(2-cyano-3-fluorophenoxy)acetohydrazide.
What is the SMILES notation for 2-(2-cyano-3-fluorophenoxy)acetohydrazide?
The canonical SMILES for 2-(2-cyano-3-fluorophenoxy)acetohydrazide is N#Cc1c(F)cccc1OCC(=O)NN.
What is the InChIKey of 2-(2-cyano-3-fluorophenoxy)acetohydrazide?
The InChIKey is CBNUHPLRXRQWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c10-7-2-1-3-8(6(7)4-11)15-5-9(14)13-12/h1-3H,5,12H2,(H,13,14).
What are the key properties of 2-(2-cyano-3-fluorophenoxy)acetohydrazide?
2-(2-cyano-3-fluorophenoxy)acetohydrazide has a molecular weight of 209.18 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-3-fluorophenoxy)acetohydrazide is sourced from PubChem (CID 63569107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).