1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine

C13H12FN3O2 — CID 169384360

IUPAC1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine
SMILESO=[N+]([O-])c1cc(CNNc2ccccc2)ccc1F
InChIInChI=1S/C13H12FN3O2/c14-12-7-6-10(8-13(12)17(18)19)9-15-16-11-4-2-1-3-5-11/h1-8,15-16H,9H2
InChIKeyZVXLUSFGSZQLIP-UHFFFAOYSA-N
MW261.26 g/mol
LogP2.85
Rot. Bonds5

About 1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine

1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine (PubChem CID 169384360) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine
PubChem CID169384360
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine
SMILESO=[N+]([O-])c1cc(CNNc2ccccc2)ccc1F
InChIInChI=1S/C13H12FN3O2/c14-12-7-6-10(8-13(12)17(18)19)9-15-16-11-4-2-1-3-5-11/h1-8,15-16H,9H2
InChIKeyZVXLUSFGSZQLIP-UHFFFAOYSA-N
XLogP2.85
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-fluoro-5-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384410
4-nitro-6-[(2-phenylhydrazinyl)methyl]benzene-1,3-diol
CID 169386178
2-methoxy-3-nitro-5-[(2-phenylhydrazinyl)methyl]phenol
CID 169386673
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939
N-[(4-chlorophenyl)methyl]-4-fluoro-3-nitroaniline
CID 43232414
2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride
CID 178200982
2-(4-fluoro-3-nitrophenyl)ethanol
CID 11252405
3-(1,3-benzothiazol-2-yl)-N-[(4-fluoro-3-nitrophenyl)methyl]aniline
CID 134814587
1-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-3-nitrophenyl]methyl]-2-phenylhydrazine
CID 169386634
1-fluoro-4-(isocyanomethyl)-2-nitrobenzene
CID 149135058
4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385221
3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385238

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine (CID 169384360) is 1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine is O=[N+]([O-])c1cc(CNNc2ccccc2)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine?
The InChIKey is ZVXLUSFGSZQLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2/c14-12-7-6-10(8-13(12)17(18)19)9-15-16-11-4-2-1-3-5-11/h1-8,15-16H,9H2.
What are the key properties of 1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine?
1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine has a molecular weight of 261.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-nitrophenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169384360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).