N'-(4-fluorophenyl)prop-2-ynehydrazide

C9H7FN2O — CID 130620285

IUPACN'-(4-fluorophenyl)prop-2-ynehydrazide
SMILESC#CC(=O)NNc1ccc(F)cc1
InChIInChI=1S/C9H7FN2O/c1-2-9(13)12-11-8-5-3-7(10)4-6-8/h1,3-6,11H,(H,12,13)
InChIKeyVAHLTPLVGUQGND-UHFFFAOYSA-N
MW178.17 g/mol
LogP0.90
Rot. Bonds2

About N'-(4-fluorophenyl)prop-2-ynehydrazide

N'-(4-fluorophenyl)prop-2-ynehydrazide (PubChem CID 130620285) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is N'-(4-fluorophenyl)prop-2-ynehydrazide.

Molecular Properties

Compound NameN'-(4-fluorophenyl)prop-2-ynehydrazide
PubChem CID130620285
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC NameN'-(4-fluorophenyl)prop-2-ynehydrazide
SMILESC#CC(=O)NNc1ccc(F)cc1
InChIInChI=1S/C9H7FN2O/c1-2-9(13)12-11-8-5-3-7(10)4-6-8/h1,3-6,11H,(H,12,13)
InChIKeyVAHLTPLVGUQGND-UHFFFAOYSA-N
XLogP0.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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2-(4-fluorophenyl)-N'-phenylacetohydrazide
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2-fluoro-N'-(4-methylphenyl)acetohydrazide
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CID 150065658
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2-cyano-3-(4-fluorophenyl)-N'-phenylprop-2-enehydrazide
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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorophenyl)prop-2-ynehydrazide?
The IUPAC name of N'-(4-fluorophenyl)prop-2-ynehydrazide (CID 130620285) is N'-(4-fluorophenyl)prop-2-ynehydrazide.
What is the SMILES notation for N'-(4-fluorophenyl)prop-2-ynehydrazide?
The canonical SMILES for N'-(4-fluorophenyl)prop-2-ynehydrazide is C#CC(=O)NNc1ccc(F)cc1.
What is the InChIKey of N'-(4-fluorophenyl)prop-2-ynehydrazide?
The InChIKey is VAHLTPLVGUQGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c1-2-9(13)12-11-8-5-3-7(10)4-6-8/h1,3-6,11H,(H,12,13).
What are the key properties of N'-(4-fluorophenyl)prop-2-ynehydrazide?
N'-(4-fluorophenyl)prop-2-ynehydrazide has a molecular weight of 178.17 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorophenyl)prop-2-ynehydrazide is sourced from PubChem (CID 130620285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).