2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide

C11H12F2N2O3 — CID 63575837

IUPAC2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide
SMILESCCC(=O)c1ccc(OC(F)(F)C(=O)NN)cc1
InChIInChI=1S/C11H12F2N2O3/c1-2-9(16)7-3-5-8(6-4-7)18-11(12,13)10(17)15-14/h3-6H,2,14H2,1H3,(H,15,17)
InChIKeyBWUISZBYOXYGBM-UHFFFAOYSA-N
MW258.22 g/mol
LogP1.24
Rot. Bonds5

About 2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide

2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide (PubChem CID 63575837) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide.

Molecular Properties

Compound Name2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide
PubChem CID63575837
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide
SMILESCCC(=O)c1ccc(OC(F)(F)C(=O)NN)cc1
InChIInChI=1S/C11H12F2N2O3/c1-2-9(16)7-3-5-8(6-4-7)18-11(12,13)10(17)15-14/h3-6H,2,14H2,1H3,(H,15,17)
InChIKeyBWUISZBYOXYGBM-UHFFFAOYSA-N
XLogP1.24
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 51.24
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-(4-butylphenoxy)-2,2-difluoroacetohydrazide
CID 115493486
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
2-(4-bromo-3-methylphenoxy)-2,2-difluoroacetohydrazide
CID 83135008
3-methyl-2-(4-propanoylphenoxy)butanehydrazide
CID 63576010
3-methylidene-1-[4-(trifluoromethoxy)phenyl]pentan-1-one
CID 115781206
2,2,4-trimethyl-4-(4-propanoylphenoxy)pentanamide
CID 123309344
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1-[6-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]propan-1-one
CID 67889873
methyl 2-methyl-3-(4-propanoylphenoxy)propanoate
CID 43537743
(4-propanoylphenyl) propanoate
CID 19170728
2,2-difluoro-2-(4-nonanoylphenoxy)acetate
CID 168826236
2-(4-fluorophenoxy)-2-methylpropanehydrazide
CID 43236623

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide?
The IUPAC name of 2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide (CID 63575837) is 2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide.
What is the SMILES notation for 2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide?
The canonical SMILES for 2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide is CCC(=O)c1ccc(OC(F)(F)C(=O)NN)cc1.
What is the InChIKey of 2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide?
The InChIKey is BWUISZBYOXYGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-2-9(16)7-3-5-8(6-4-7)18-11(12,13)10(17)15-14/h3-6H,2,14H2,1H3,(H,15,17).
What are the key properties of 2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide?
2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide has a molecular weight of 258.22 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide is sourced from PubChem (CID 63575837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).