6-(5-fluoro-2-methylphenoxy)hexanehydrazide

C13H19FN2O2 — CID 102987680

IUPAC6-(5-fluoro-2-methylphenoxy)hexanehydrazide
SMILESCc1ccc(F)cc1OCCCCCC(=O)NN
InChIInChI=1S/C13H19FN2O2/c1-10-6-7-11(14)9-12(10)18-8-4-2-3-5-13(17)16-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)
InChIKeyXHJKAFCYDQUDFR-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.06
Rot. Bonds7

About 6-(5-fluoro-2-methylphenoxy)hexanehydrazide

6-(5-fluoro-2-methylphenoxy)hexanehydrazide (PubChem CID 102987680) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 6-(5-fluoro-2-methylphenoxy)hexanehydrazide.

Molecular Properties

Compound Name6-(5-fluoro-2-methylphenoxy)hexanehydrazide
PubChem CID102987680
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name6-(5-fluoro-2-methylphenoxy)hexanehydrazide
SMILESCc1ccc(F)cc1OCCCCCC(=O)NN
InChIInChI=1S/C13H19FN2O2/c1-10-6-7-11(14)9-12(10)18-8-4-2-3-5-13(17)16-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17)
InChIKeyXHJKAFCYDQUDFR-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluoro-2-nitrophenoxy)pentanehydrazide
CID 63568590
2-(6-chlorohexoxy)-4-fluoro-1-methylbenzene
CID 102981403
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
4-(5-fluoro-2-nitrophenoxy)butanehydrazide
CID 55212419
6-(5-fluoro-2-methylphenoxy)hexane-1-thiol
CID 102988847
5-(2,3-difluorophenoxy)pentanehydrazide
CID 63569509
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
5-(2-ethoxyphenoxy)pentanehydrazide
CID 63575982
5-(2-ethylphenoxy)pentanehydrazide
CID 63569442
5-(2-chloro-5-methylphenoxy)pentanehydrazide
CID 63576775
N-ethyl-4-(5-fluoro-2-methylphenoxy)butan-1-amine
CID 102986467
3-(5-fluoro-2-methylphenoxy)propanethioamide
CID 102981847

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-methylphenoxy)hexanehydrazide?
The IUPAC name of 6-(5-fluoro-2-methylphenoxy)hexanehydrazide (CID 102987680) is 6-(5-fluoro-2-methylphenoxy)hexanehydrazide.
What is the SMILES notation for 6-(5-fluoro-2-methylphenoxy)hexanehydrazide?
The canonical SMILES for 6-(5-fluoro-2-methylphenoxy)hexanehydrazide is Cc1ccc(F)cc1OCCCCCC(=O)NN.
What is the InChIKey of 6-(5-fluoro-2-methylphenoxy)hexanehydrazide?
The InChIKey is XHJKAFCYDQUDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-10-6-7-11(14)9-12(10)18-8-4-2-3-5-13(17)16-15/h6-7,9H,2-5,8,15H2,1H3,(H,16,17).
What are the key properties of 6-(5-fluoro-2-methylphenoxy)hexanehydrazide?
6-(5-fluoro-2-methylphenoxy)hexanehydrazide has a molecular weight of 254.30 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-methylphenoxy)hexanehydrazide is sourced from PubChem (CID 102987680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).