[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine

C7H6F4N2S — CID 118809812

IUPAC[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1ccc(SC(F)(F)F)c(F)c1
InChIInChI=1S/C7H6F4N2S/c8-5-3-4(13-12)1-2-6(5)14-7(9,10)11/h1-3,13H,12H2
InChIKeyZVOKHHKEWHZZTI-UHFFFAOYSA-N
MW226.20 g/mol
LogP2.72
Rot. Bonds2

About [3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine

[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine (PubChem CID 118809812) has the molecular formula C7H6F4N2S and a molecular weight of 226.20 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine
PubChem CID118809812
Molecular FormulaC7H6F4N2S
Molecular Weight226.20 g/mol
Exact Mass226.02
IUPAC Name[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1ccc(SC(F)(F)F)c(F)c1
InChIInChI=1S/C7H6F4N2S/c8-5-3-4(13-12)1-2-6(5)14-7(9,10)11/h1-3,13H,12H2
InChIKeyZVOKHHKEWHZZTI-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine?
The IUPAC name of [3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine (CID 118809812) is [3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine.
What is the SMILES notation for [3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine?
The canonical SMILES for [3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine is NNc1ccc(SC(F)(F)F)c(F)c1.
What is the InChIKey of [3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine?
The InChIKey is ZVOKHHKEWHZZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2S/c8-5-3-4(13-12)1-2-6(5)14-7(9,10)11/h1-3,13H,12H2.
What are the key properties of [3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine?
[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine has a molecular weight of 226.20 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethylsulfanyl)phenyl]hydrazine is sourced from PubChem (CID 118809812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).