[2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine

C14H14FN3O3 — CID 107170564

IUPAC[2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine
SMILESCc1ccc(OCc2cc([N+](=O)[O-])ccc2NN)cc1F
InChIInChI=1S/C14H14FN3O3/c1-9-2-4-12(7-13(9)15)21-8-10-6-11(18(19)20)3-5-14(10)17-16/h2-7,17H,8,16H2,1H3
InChIKeyDEROSBNQEJYIGF-UHFFFAOYSA-N
MW291.28 g/mol
LogP2.91
Rot. Bonds5

About [2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine

[2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine (PubChem CID 107170564) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is [2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine
PubChem CID107170564
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Name[2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine
SMILESCc1ccc(OCc2cc([N+](=O)[O-])ccc2NN)cc1F
InChIInChI=1S/C14H14FN3O3/c1-9-2-4-12(7-13(9)15)21-8-10-6-11(18(19)20)3-5-14(10)17-16/h2-7,17H,8,16H2,1H3
InChIKeyDEROSBNQEJYIGF-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

4-[(4-chloro-2-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107171523
[2-(2-butoxyethoxymethyl)-4-nitrophenyl]hydrazine
CID 62244516
[2-[(2,4-dibromophenoxy)methyl]-4-nitrophenyl]hydrazine
CID 64719785
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674
[4-nitro-2-(octan-2-yloxymethyl)phenyl]hydrazine
CID 62244153
2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
CID 163577321
4-chloro-2-[(3-fluoro-4-methylphenoxy)methyl]aniline
CID 107168669
2-[(3-fluorophenoxy)methyl]-4-nitroaniline
CID 62193712
2-[(4-bromo-3-methylphenoxy)methyl]-1-chloro-4-nitrobenzene
CID 83133517
2-[(3-bromo-4-fluorophenoxy)methyl]-1-chloro-4-nitrobenzene
CID 83231215
[2-[(2,4-difluorophenyl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 62250634
4-[(4-chloro-3-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107169108

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine?
The IUPAC name of [2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine (CID 107170564) is [2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine is Cc1ccc(OCc2cc([N+](=O)[O-])ccc2NN)cc1F.
What is the InChIKey of [2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine?
The InChIKey is DEROSBNQEJYIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-9-2-4-12(7-13(9)15)21-8-10-6-11(18(19)20)3-5-14(10)17-16/h2-7,17H,8,16H2,1H3.
What are the key properties of [2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine?
[2-[(3-fluoro-4-methylphenoxy)methyl]-4-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 [2-[(3-fluoro-4-methylphenoxy)methyl]-4-nitrophenyl]hydrazine is sourced from PubChem (CID 107170564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).