2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide

C11H13BrF2N2O2 — CID 107101957

IUPAC2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide
SMILESCCCC(Oc1cc(Br)cc(F)c1F)C(=O)NN
InChIInChI=1S/C11H13BrF2N2O2/c1-2-3-8(11(17)16-15)18-9-5-6(12)4-7(13)10(9)14/h4-5,8H,2-3,15H2,1H3,(H,16,17)
InChIKeyADURSWORACQYRO-UHFFFAOYSA-N
MW323.14 g/mol
LogP2.26
Rot. Bonds5

About 2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide

2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide (PubChem CID 107101957) has the molecular formula C11H13BrF2N2O2 and a molecular weight of 323.14 g/mol. Its IUPAC name is 2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide.

Molecular Properties

Compound Name2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide
PubChem CID107101957
Molecular FormulaC11H13BrF2N2O2
Molecular Weight323.14 g/mol
Exact Mass322.01
IUPAC Name2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide
SMILESCCCC(Oc1cc(Br)cc(F)c1F)C(=O)NN
InChIInChI=1S/C11H13BrF2N2O2/c1-2-3-8(11(17)16-15)18-9-5-6(12)4-7(13)10(9)14/h4-5,8H,2-3,15H2,1H3,(H,16,17)
InChIKeyADURSWORACQYRO-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', '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-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
2-(5-bromo-2,3-difluorophenoxy)-N-pentylpropanamide
CID 107098793
2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide
CID 83047514
2-(5-bromo-2,3-difluorophenoxy)butanimidamide
CID 107099813
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)pentanehydrazide
CID 83047266
2-[2-(2-hydroxyethyl)phenoxy]pentanehydrazide
CID 107714182
2-naphthalen-2-yloxypentanehydrazide
CID 54792972
2-(2-bromo-4-chlorophenoxy)butanehydrazide
CID 54792634
2-(2,6-dimethylphenoxy)pentanehydrazide
CID 54792907
2-[4-(trifluoromethyl)phenoxy]pentanehydrazide
CID 83047631
ethyl 2-(5-bromo-2-fluorophenoxy)butanoate
CID 114671561
2-(5-bromo-2-fluorophenoxy)-N-methylpentan-1-amine
CID 114676924

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide?
The IUPAC name of 2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide (CID 107101957) is 2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide.
What is the SMILES notation for 2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide?
The canonical SMILES for 2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide is CCCC(Oc1cc(Br)cc(F)c1F)C(=O)NN.
What is the InChIKey of 2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide?
The InChIKey is ADURSWORACQYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2O2/c1-2-3-8(11(17)16-15)18-9-5-6(12)4-7(13)10(9)14/h4-5,8H,2-3,15H2,1H3,(H,16,17).
What are the key properties of 2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide?
2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide has a molecular weight of 323.14 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-difluorophenoxy)pentanehydrazide is sourced from PubChem (CID 107101957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).