[4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine

C13H11F2N3O3 — CID 63273017

IUPAC[4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESNNc1ccc(COc2cc(F)ccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11F2N3O3/c14-9-2-3-10(15)13(6-9)21-7-8-1-4-11(17-16)12(5-8)18(19)20/h1-6,17H,7,16H2
InChIKeyMDKLKNANPSGBAO-UHFFFAOYSA-N
MW295.25 g/mol
LogP2.74
Rot. Bonds5

About [4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine

[4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine (PubChem CID 63273017) has the molecular formula C13H11F2N3O3 and a molecular weight of 295.25 g/mol. Its IUPAC name is [4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine
PubChem CID63273017
Molecular FormulaC13H11F2N3O3
Molecular Weight295.25 g/mol
Exact Mass295.08
IUPAC Name[4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESNNc1ccc(COc2cc(F)ccc2F)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11F2N3O3/c14-9-2-3-10(15)13(6-9)21-7-8-1-4-11(17-16)12(5-8)18(19)20/h1-6,17H,7,16H2
InChIKeyMDKLKNANPSGBAO-UHFFFAOYSA-N
XLogP2.74
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

4-[(2,5-difluorophenoxy)methyl]-N-methyl-2-nitroaniline
CID 63273444
[4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244311
[4-[(2-bromo-4-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244154
[5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107660728
[5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 116689933
4-[(5-bromo-2-fluorophenoxy)methyl]-2-fluoro-1-nitrobenzene
CID 114672194
[4-(3,3-dimethylbutoxymethyl)-2-nitrophenyl]hydrazine
CID 66225464
[2-nitro-4-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]hydrazine
CID 79589871
1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene
CID 78797422
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanamine
CID 82918133

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine?
The IUPAC name of [4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine (CID 63273017) is [4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine.
What is the SMILES notation for [4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine?
The canonical SMILES for [4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine is NNc1ccc(COc2cc(F)ccc2F)cc1[N+](=O)[O-].
What is the InChIKey of [4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine?
The InChIKey is MDKLKNANPSGBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3O3/c14-9-2-3-10(15)13(6-9)21-7-8-1-4-11(17-16)12(5-8)18(19)20/h1-6,17H,7,16H2.
What are the key properties of [4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine?
[4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine has a molecular weight of 295.25 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine is sourced from PubChem (CID 63273017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).