3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide

C11H14ClFN2O2 — CID 79627308

IUPAC3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide
SMILESCC(C)(COc1ccc(F)c(Cl)c1)C(=O)NN
InChIInChI=1S/C11H14ClFN2O2/c1-11(2,10(16)15-14)6-17-7-3-4-9(13)8(12)5-7/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyHPMOXRUEFFLNOE-UHFFFAOYSA-N
MW260.70 g/mol
LogP1.87
Rot. Bonds4

About 3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide

3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide (PubChem CID 79627308) has the molecular formula C11H14ClFN2O2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide
PubChem CID79627308
Molecular FormulaC11H14ClFN2O2
Molecular Weight260.70 g/mol
Exact Mass260.07
IUPAC Name3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide
SMILESCC(C)(COc1ccc(F)c(Cl)c1)C(=O)NN
InChIInChI=1S/C11H14ClFN2O2/c1-11(2,10(16)15-14)6-17-7-3-4-9(13)8(12)5-7/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyHPMOXRUEFFLNOE-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-dimethyl-3-phenoxypropanehydrazide
CID 79626313
methyl 2-(3-chloro-4-fluorophenoxy)acetate
CID 43235932
methyl 3-(3,4-difluorophenoxy)-2,2-dimethylpropanoate
CID 79622618
methyl 3-(3-chloro-4-fluorophenoxy)-2-methylpropanoate
CID 43402742
4-(3-chloro-4-fluorophenoxy)-2,2-dimethylbutanethioamide
CID 65248120
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
N-[4-[2-(3-chloro-4-fluorophenoxy)acetyl]phenyl]-2,2-dimethylpropanamide
CID 7432990
3-(3-chloro-4-fluorophenoxy)-2-hydroxy-2-methyl-N-(2-methyl-3-nitrophenyl)propanamide
CID 87877442
2-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]propanediamide
CID 47155227
1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
1-[2-(3-chloro-4-fluorophenoxy)ethyl]triazole-4-carbohydrazide
CID 63576753
3-[4-(4-chlorophenoxy)phenoxy]-2,2-dimethylpropanoic acid
CID 146594283

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide (CID 79627308) is 3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide is CC(C)(COc1ccc(F)c(Cl)c1)C(=O)NN.
What is the InChIKey of 3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide?
The InChIKey is HPMOXRUEFFLNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2/c1-11(2,10(16)15-14)6-17-7-3-4-9(13)8(12)5-7/h3-5H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide?
3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide has a molecular weight of 260.70 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79627308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).