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

C11H15FN2O2 — CID 79626955

IUPAC3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
SMILESCC(C)(COc1cccc(F)c1)C(=O)NN
InChIInChI=1S/C11H15FN2O2/c1-11(2,10(15)14-13)7-16-9-5-3-4-8(12)6-9/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyPOOLDAOAOQKOLV-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.22
Rot. Bonds4

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

3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide (PubChem CID 79626955) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
PubChem CID79626955
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide
SMILESCC(C)(COc1cccc(F)c1)C(=O)NN
InChIInChI=1S/C11H15FN2O2/c1-11(2,10(15)14-13)7-16-9-5-3-4-8(12)6-9/h3-6H,7,13H2,1-2H3,(H,14,15)
InChIKeyPOOLDAOAOQKOLV-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.22
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

3-(3-fluorophenoxy)-2,2-dimethylpropanamide
CID 82078068
2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
3-[3-(methoxymethyl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79627840
3-(3-chloro-4-fluorophenoxy)-2,2-dimethylpropanehydrazide
CID 79627308
3-(3-fluoro-N-methylanilino)-2,2-dimethylpropanehydrazide
CID 79631069
2-[2-[(3-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 115465202
5-(3-fluorophenoxy)-2,2-dimethylpentanoic acid
CID 65255314
2-(ethylamino)-3-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 64804368
3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79629145
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746
2-[[2-(3-fluorophenoxy)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467655
3-[(3-fluorophenoxy)methyl]benzohydrazide
CID 63576868

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide (CID 79626955) is 3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide is CC(C)(COc1cccc(F)c1)C(=O)NN.
What is the InChIKey of 3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide?
The InChIKey is POOLDAOAOQKOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-11(2,10(15)14-13)7-16-9-5-3-4-8(12)6-9/h3-6H,7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide?
3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide has a molecular weight of 226.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79626955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).