2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide

C10H9F2N3O2 — CID 107661575

IUPAC2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide
SMILESCc1ccc(C#N)cc1OC(F)(F)C(=O)NN
InChIInChI=1S/C10H9F2N3O2/c1-6-2-3-7(5-13)4-8(6)17-10(11,12)9(16)15-14/h2-4H,14H2,1H3,(H,15,16)
InChIKeyBQHBILYVLYDVGQ-UHFFFAOYSA-N
MW241.20 g/mol
LogP0.83
Rot. Bonds3

About 2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide

2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide (PubChem CID 107661575) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide.

Molecular Properties

Compound Name2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide
PubChem CID107661575
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide
SMILESCc1ccc(C#N)cc1OC(F)(F)C(=O)NN
InChIInChI=1S/C10H9F2N3O2/c1-6-2-3-7(5-13)4-8(6)17-10(11,12)9(16)15-14/h2-4H,14H2,1H3,(H,15,16)
InChIKeyBQHBILYVLYDVGQ-UHFFFAOYSA-N
XLogP0.83
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 50.83
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-(5-cyano-2-methylphenoxy)acetohydrazide
CID 107661565
2-[(5-cyano-2-methylphenoxy)methyl]benzohydrazide
CID 107661586
2-(2-cyano-3-fluorophenoxy)-2,2-difluoroacetohydrazide
CID 63569285
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
3-aminooxy-4-methylbenzonitrile
CID 130500377
4-(5-cyano-2-methylphenoxy)butanoic acid
CID 107654879
(5-cyano-2-methylphenyl) N-chlorosulfonylcarbamate
CID 107663068
4-methyl-3-prop-2-ynoxybenzonitrile
CID 104841829
2-(4-cyanophenyl)-2,2-difluoroacetohydrazide
CID 170755835
3-(5-cyano-2-methylphenoxy)propane-1-sulfonamide
CID 107661811
3-(2,2-difluoroethoxy)-4-methylbenzonitrile
CID 104853689
2-[4-cyano-2-(trifluoromethyl)phenoxy]-2,2-difluoroacetic acid
CID 115467547

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide?
The IUPAC name of 2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide (CID 107661575) is 2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide.
What is the SMILES notation for 2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide?
The canonical SMILES for 2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide is Cc1ccc(C#N)cc1OC(F)(F)C(=O)NN.
What is the InChIKey of 2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide?
The InChIKey is BQHBILYVLYDVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c1-6-2-3-7(5-13)4-8(6)17-10(11,12)9(16)15-14/h2-4H,14H2,1H3,(H,15,16).
What are the key properties of 2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide?
2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide has a molecular weight of 241.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyano-2-methylphenoxy)-2,2-difluoroacetohydrazide is sourced from PubChem (CID 107661575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).