[2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine

C7H6F3N3O2S — CID 118843609

IUPAC[2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1c(SC(F)(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O2S/c8-7(9,10)16-5-3-1-2-4(13(14)15)6(5)12-11/h1-3,12H,11H2
InChIKeyJOZHRKBLACCJND-UHFFFAOYSA-N
MW253.21 g/mol
LogP2.49
Rot. Bonds3

About [2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine

[2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine (PubChem CID 118843609) has the molecular formula C7H6F3N3O2S and a molecular weight of 253.21 g/mol. Its IUPAC name is [2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine
PubChem CID118843609
Molecular FormulaC7H6F3N3O2S
Molecular Weight253.21 g/mol
Exact Mass253.01
IUPAC Name[2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1c(SC(F)(F)F)cccc1[N+](=O)[O-]
InChIInChI=1S/C7H6F3N3O2S/c8-7(9,10)16-5-3-1-2-4(13(14)15)6(5)12-11/h1-3,12H,11H2
InChIKeyJOZHRKBLACCJND-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-6-nitrophenyl)hydrazine
CID 81310893
1-chloro-3-[2-nitro-6-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 170836748
N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107352890
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
[2-(difluoromethyl)-3-nitrophenyl]hydrazine
CID 118803452
[5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 118807774
2,2,2-trifluoro-N-[(2-hydrazinyl-3-nitrophenyl)methyl]-N-methylethanamine
CID 107352881
2-hydrazinyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 115937161
2-bromo-4-nitro-5-(trifluoromethylsulfanyl)pyridine
CID 119013174
[2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353455
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
N-bromo-2-nitro-6-(trifluoromethyl)aniline
CID 150445517

Frequently Asked Questions

What is the IUPAC name of [2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine?
The IUPAC name of [2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine (CID 118843609) is [2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine.
What is the SMILES notation for [2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine?
The canonical SMILES for [2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine is NNc1c(SC(F)(F)F)cccc1[N+](=O)[O-].
What is the InChIKey of [2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine?
The InChIKey is JOZHRKBLACCJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2S/c8-7(9,10)16-5-3-1-2-4(13(14)15)6(5)12-11/h1-3,12H,11H2.
What are the key properties of [2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine?
[2-nitro-6-(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 [2-nitro-6-(trifluoromethylsulfanyl)phenyl]hydrazine is sourced from PubChem (CID 118843609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).