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

C7H6F3N3O2S — CID 166641635

IUPAC[3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1cc(SC(F)(F)F)cc([N+](=O)[O-])c1
InChIInChI=1S/C7H6F3N3O2S/c8-7(9,10)16-6-2-4(12-11)1-5(3-6)13(14)15/h1-3,12H,11H2
InChIKeyNZKRYAQFPFDPGU-UHFFFAOYSA-N
MW253.21 g/mol
LogP2.49
Rot. Bonds3

About [3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine

[3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine (PubChem CID 166641635) has the molecular formula C7H6F3N3O2S and a molecular weight of 253.21 g/mol. Its IUPAC name is [3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine.

Molecular Properties

Compound Name[3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine
PubChem CID166641635
Molecular FormulaC7H6F3N3O2S
Molecular Weight253.21 g/mol
Exact Mass253.01
IUPAC Name[3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1cc(SC(F)(F)F)cc([N+](=O)[O-])c1
InChIInChI=1S/C7H6F3N3O2S/c8-7(9,10)16-6-2-4(12-11)1-5(3-6)13(14)15/h1-3,12H,11H2
InChIKeyNZKRYAQFPFDPGU-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

1-chloro-3-nitro-5-(trifluoromethylsulfanyl)benzene
CID 170899730
2-(3-hydrazinyl-5-nitrophenyl)sulfanylethanol
CID 80921240
(3-butan-2-ylsulfanyl-5-nitrophenyl)hydrazine
CID 80924770
methyl 2-(3-hydrazinyl-5-nitrophenyl)sulfanylacetate
CID 80922757
(3-nitro-5-pyrazin-2-ylsulfanylphenyl)hydrazine
CID 80928961
[5-nitro-2-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 118807774
3-hydrazinyl-5-nitro-N-propan-2-ylaniline
CID 80932452
N-(3-ethylpentan-3-yl)-3-hydrazinyl-5-nitroaniline
CID 80915908
3-hydrazinyl-N-(3-methylsulfanylpropyl)-5-nitroaniline
CID 80913011
N-(2,2-dimethylbutyl)-3-hydrazinyl-5-nitroaniline
CID 103466749
3-(3-hydrazinyl-5-nitroanilino)propan-1-ol
CID 80944084
3,4-difluoro-N-(3-hydrazinyl-5-nitrophenyl)aniline
CID 80928323

Frequently Asked Questions

What is the IUPAC name of [3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine?
The IUPAC name of [3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine (CID 166641635) is [3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine.
What is the SMILES notation for [3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine?
The canonical SMILES for [3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine is NNc1cc(SC(F)(F)F)cc([N+](=O)[O-])c1.
What is the InChIKey of [3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine?
The InChIKey is NZKRYAQFPFDPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O2S/c8-7(9,10)16-6-2-4(12-11)1-5(3-6)13(14)15/h1-3,12H,11H2.
What are the key properties of [3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine?
[3-nitro-5-(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 [3-nitro-5-(trifluoromethylsulfanyl)phenyl]hydrazine is sourced from PubChem (CID 166641635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).