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

C7H6BrF3N2S — CID 130849571

IUPAC[5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1cc(Br)ccc1SC(F)(F)F
InChIInChI=1S/C7H6BrF3N2S/c8-4-1-2-6(5(3-4)13-12)14-7(9,10)11/h1-3,13H,12H2
InChIKeyRQMBNTVEBKKWFN-UHFFFAOYSA-N
MW287.10 g/mol
LogP3.35
Rot. Bonds2

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

[5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine (PubChem CID 130849571) has the molecular formula C7H6BrF3N2S and a molecular weight of 287.10 g/mol. Its IUPAC name is [5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine.

Molecular Properties

Compound Name[5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine
PubChem CID130849571
Molecular FormulaC7H6BrF3N2S
Molecular Weight287.10 g/mol
Exact Mass285.94
IUPAC Name[5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1cc(Br)ccc1SC(F)(F)F
InChIInChI=1S/C7H6BrF3N2S/c8-4-1-2-6(5(3-4)13-12)14-7(9,10)11/h1-3,13H,12H2
InChIKeyRQMBNTVEBKKWFN-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.10
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 166641691
3-hydrazinyl-4-(trifluoromethylsulfanyl)benzonitrile
CID 166641689
4-bromo-2-(trifluoromethyl)-1-(trifluoromethylsulfanyl)benzene
CID 75406354
[4-chloro-2-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 130783096
[5-bromo-2-(3-chloropropylsulfanyl)phenyl]hydrazine;hydrochloride
CID 22735657
5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline
CID 131014091
(4-bromo-2-fluorophenyl)hydrazine;hydrobromide
CID 138619628
(5-bromo-2-methylphenyl)hydrazine;hydrochloride
CID 22279963
5-bromo-3-(trifluoromethylsulfanyl)-1-benzofuran
CID 132580628
1-[5-bromo-2-(trifluoromethylsulfanyl)phenyl]-1-chloropropan-2-one
CID 166640577
(E)-3-(4-bromo-2-hydrazinylphenyl)prop-2-enoic acid
CID 118839664
[2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine
CID 166641640

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
The IUPAC name of [5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine (CID 130849571) is [5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine.
What is the SMILES notation for [5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
The canonical SMILES for [5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine is NNc1cc(Br)ccc1SC(F)(F)F.
What is the InChIKey of [5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
The InChIKey is RQMBNTVEBKKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2S/c8-4-1-2-6(5(3-4)13-12)14-7(9,10)11/h1-3,13H,12H2.
What are the key properties of [5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
[5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine has a molecular weight of 287.10 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(trifluoromethylsulfanyl)phenyl]hydrazine is sourced from PubChem (CID 130849571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).