2-(2-fluoro-6-nitrophenoxy)pentanehydrazide

C11H14FN3O4 — CID 104832467

IUPAC2-(2-fluoro-6-nitrophenoxy)pentanehydrazide
SMILESCCCC(Oc1c(F)cccc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C11H14FN3O4/c1-2-4-9(11(16)14-13)19-10-7(12)5-3-6-8(10)15(17)18/h3,5-6,9H,2,4,13H2,1H3,(H,14,16)
InChIKeyXEHXOAKRUVPRNH-UHFFFAOYSA-N
MW271.25 g/mol
LogP1.27
Rot. Bonds6

About 2-(2-fluoro-6-nitrophenoxy)pentanehydrazide

2-(2-fluoro-6-nitrophenoxy)pentanehydrazide (PubChem CID 104832467) has the molecular formula C11H14FN3O4 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(2-fluoro-6-nitrophenoxy)pentanehydrazide.

Molecular Properties

Compound Name2-(2-fluoro-6-nitrophenoxy)pentanehydrazide
PubChem CID104832467
Molecular FormulaC11H14FN3O4
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name2-(2-fluoro-6-nitrophenoxy)pentanehydrazide
SMILESCCCC(Oc1c(F)cccc1[N+](=O)[O-])C(=O)NN
InChIInChI=1S/C11H14FN3O4/c1-2-4-9(11(16)14-13)19-10-7(12)5-3-6-8(10)15(17)18/h3,5-6,9H,2,4,13H2,1H3,(H,14,16)
InChIKeyXEHXOAKRUVPRNH-UHFFFAOYSA-N
XLogP1.27
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-6-nitrophenoxy)pentanehydrazide
CID 83048033
2-(2,6-dimethylphenoxy)pentanehydrazide
CID 54792907
(2-fluoro-6-nitrophenyl) methyl carbonate
CID 67247258
2-(2-bromo-4-chloro-6-nitrophenoxy)pentanehydrazide
CID 83048156
2-fluoro-6-(1-hydrazinyl-1-oxopentan-2-yl)oxybenzamide
CID 83047514
2-(2-nitrophenoxy)butanehydrazide
CID 54792980
dimethyl (2S,4S)-2-(2-fluoro-6-nitrophenoxy)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 169193372
2-(4-cyano-2-nitrophenoxy)pentanehydrazide
CID 83047253
2-(3,4-difluorophenoxy)pentanehydrazide
CID 83048019
2-(2-fluoro-6-nitrophenoxy)butanenitrile
CID 104831722
2-[(2-fluoro-6-nitrophenoxy)methyl]pentane-1-thiol
CID 104832546
dimethyl 2-(2-fluoro-6-nitrophenyl)propanedioate
CID 24824335

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-nitrophenoxy)pentanehydrazide?
The IUPAC name of 2-(2-fluoro-6-nitrophenoxy)pentanehydrazide (CID 104832467) is 2-(2-fluoro-6-nitrophenoxy)pentanehydrazide.
What is the SMILES notation for 2-(2-fluoro-6-nitrophenoxy)pentanehydrazide?
The canonical SMILES for 2-(2-fluoro-6-nitrophenoxy)pentanehydrazide is CCCC(Oc1c(F)cccc1[N+](=O)[O-])C(=O)NN.
What is the InChIKey of 2-(2-fluoro-6-nitrophenoxy)pentanehydrazide?
The InChIKey is XEHXOAKRUVPRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4/c1-2-4-9(11(16)14-13)19-10-7(12)5-3-6-8(10)15(17)18/h3,5-6,9H,2,4,13H2,1H3,(H,14,16).
What are the key properties of 2-(2-fluoro-6-nitrophenoxy)pentanehydrazide?
2-(2-fluoro-6-nitrophenoxy)pentanehydrazide has a molecular weight of 271.25 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-nitrophenoxy)pentanehydrazide is sourced from PubChem (CID 104832467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).