[5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine

C7H6F3N3O2S — CID 118807774

IUPAC[5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1cc([N+](=O)[O-])ccc1SC(F)(F)F
InChIInChI=1S/C7H6F3N3O2S/c8-7(9,10)16-6-2-1-4(13(14)15)3-5(6)12-11/h1-3,12H,11H2
InChIKeyZCTGSCKAIOTZMH-UHFFFAOYSA-N
MW253.21 g/mol
LogP2.49
Rot. Bonds3

About [5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine

[5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine (PubChem CID 118807774) has the molecular formula C7H6F3N3O2S and a molecular weight of 253.21 g/mol. Its IUPAC name is [5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine.

Molecular Properties

Compound Name[5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine
PubChem CID118807774
Molecular FormulaC7H6F3N3O2S
Molecular Weight253.21 g/mol
Exact Mass253.01
IUPAC Name[5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1cc([N+](=O)[O-])ccc1SC(F)(F)F
InChIInChI=1S/C7H6F3N3O2S/c8-7(9,10)16-6-2-1-4(13(14)15)3-5(6)12-11/h1-3,12H,11H2
InChIKeyZCTGSCKAIOTZMH-UHFFFAOYSA-N
XLogP2.49
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 52.49
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

2-fluoro-4-nitro-1-(trifluoromethylsulfanyl)benzene
CID 122703283
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674
[4-nitro-2-(trifluoromethoxy)phenyl]hydrazine
CID 118807665
2-hydrazinyl-5-nitroaniline
CID 130769325
N-[(3-nitrophenyl)methyl]-2-(trifluoromethylsulfanyl)aniline
CID 78885472
2-bromo-1-[5-nitro-2-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 134619048
[3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 166641635
1-iodo-2-methoxy-4-nitrobenzene;2-methoxy-4-nitro-1-(trifluoromethylsulfanyl)benzene
CID 161045341
[2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 118843609
benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
(6-nitrocinnolin-4-yl)hydrazine
CID 131861086
2-hydrazinyl-4-nitro-6-(trifluoromethyl)aniline
CID 153338634

Frequently Asked Questions

What is the IUPAC name of [5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
The IUPAC name of [5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine (CID 118807774) is [5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine.
What is the SMILES notation for [5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
The canonical SMILES for [5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine is NNc1cc([N+](=O)[O-])ccc1SC(F)(F)F.
What is the InChIKey of [5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
The InChIKey is ZCTGSCKAIOTZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2S/c8-7(9,10)16-6-2-1-4(13(14)15)3-5(6)12-11/h1-3,12H,11H2.
What are the key properties of [5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
[5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine has a molecular weight of 253.21 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine is sourced from PubChem (CID 118807774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).