5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline

C7H8F3N3S — CID 131014091

IUPAC5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline
SMILESNNc1ccc(SC(F)(F)F)c(N)c1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)14-6-2-1-4(13-12)3-5(6)11/h1-3,13H,11-12H2
InChIKeyUDKIIGBRYCIEFE-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.17
Rot. Bonds2

About 5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline

5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline (PubChem CID 131014091) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is 5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline.

Molecular Properties

Compound Name5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline
PubChem CID131014091
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC Name5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline
SMILESNNc1ccc(SC(F)(F)F)c(N)c1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)14-6-2-1-4(13-12)3-5(6)11/h1-3,13H,11-12H2
InChIKeyUDKIIGBRYCIEFE-UHFFFAOYSA-N
XLogP2.17
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline?
The IUPAC name of 5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline (CID 131014091) is 5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline.
What is the SMILES notation for 5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline?
The canonical SMILES for 5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline is NNc1ccc(SC(F)(F)F)c(N)c1.
What is the InChIKey of 5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline?
The InChIKey is UDKIIGBRYCIEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c8-7(9,10)14-6-2-1-4(13-12)3-5(6)11/h1-3,13H,11-12H2.
What are the key properties of 5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline?
5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline has a molecular weight of 223.22 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-(trifluoromethylsulfanyl)aniline is sourced from PubChem (CID 131014091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).