[5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine

C14H14FN3O3 — CID 107660728

IUPAC[5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESCc1cccc(OCc2ccc([N+](=O)[O-])c(NN)c2)c1F
InChIInChI=1S/C14H14FN3O3/c1-9-3-2-4-13(14(9)15)21-8-10-5-6-12(18(19)20)11(7-10)17-16/h2-7,17H,8,16H2,1H3
InChIKeyTWWWVNHXPSSIEO-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.91
Rot. Bonds5

About [5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine

[5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine (PubChem CID 107660728) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is [5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
PubChem CID107660728
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name[5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
SMILESCc1cccc(OCc2ccc([N+](=O)[O-])c(NN)c2)c1F
InChIInChI=1S/C14H14FN3O3/c1-9-3-2-4-13(14(9)15)21-8-10-5-6-12(18(19)20)11(7-10)17-16/h2-7,17H,8,16H2,1H3
InChIKeyTWWWVNHXPSSIEO-UHFFFAOYSA-N
XLogP2.91
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 52.91
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

[5-[(3-chloro-2-fluorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 116689933
[5-[(5-bromo-2-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 107285513
[5-[(4-bromo-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine
CID 83136867
2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
CID 107662043
[4-[(2,5-difluorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 63273017
2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001
1-[(4-bromo-3-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 115557951
[4-[(2-chlorophenoxy)methyl]-2-nitrophenyl]hydrazine
CID 62244311
1-[(3-bromo-4-fluorophenyl)methoxy]-2-methyl-3-nitrobenzene
CID 63456882
5-[(5-bromo-2-methylphenoxy)methyl]-N-methyl-2-nitroaniline
CID 107285483
4-fluoro-2-[(3-fluorophenyl)methoxy]-1-nitrobenzene
CID 78767325
1-bromo-4-[(2-methylphenoxy)methyl]-2-nitrobenzene
CID 115557958

Frequently Asked Questions

What is the IUPAC name of [5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
The IUPAC name of [5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine (CID 107660728) is [5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine.
What is the SMILES notation for [5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
The canonical SMILES for [5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine is Cc1cccc(OCc2ccc([N+](=O)[O-])c(NN)c2)c1F.
What is the InChIKey of [5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
The InChIKey is TWWWVNHXPSSIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-9-3-2-4-13(14(9)15)21-8-10-5-6-12(18(19)20)11(7-10)17-16/h2-7,17H,8,16H2,1H3.
What are the key properties of [5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine?
[5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine has a molecular weight of 291.28 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-fluoro-3-methylphenoxy)methyl]-2-nitrophenyl]hydrazine is sourced from PubChem (CID 107660728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).