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

C8H7F5N2S — CID 166641691

IUPAC[5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1cc(C(F)F)ccc1SC(F)(F)F
InChIInChI=1S/C8H7F5N2S/c9-7(10)4-1-2-6(5(3-4)15-14)16-8(11,12)13/h1-3,7,15H,14H2
InChIKeyRREHLUZXBNCXIU-UHFFFAOYSA-N
MW258.22 g/mol
LogP3.52
Rot. Bonds3

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

[5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine (PubChem CID 166641691) has the molecular formula C8H7F5N2S and a molecular weight of 258.22 g/mol. Its IUPAC name is [5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine.

Molecular Properties

Compound Name[5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine
PubChem CID166641691
Molecular FormulaC8H7F5N2S
Molecular Weight258.22 g/mol
Exact Mass258.03
IUPAC Name[5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESNNc1cc(C(F)F)ccc1SC(F)(F)F
InChIInChI=1S/C8H7F5N2S/c9-7(10)4-1-2-6(5(3-4)15-14)16-8(11,12)13/h1-3,7,15H,14H2
InChIKeyRREHLUZXBNCXIU-UHFFFAOYSA-N
XLogP3.52
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 53.52
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 [5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
The IUPAC name of [5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine (CID 166641691) is [5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine.
What is the SMILES notation for [5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
The canonical SMILES for [5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine is NNc1cc(C(F)F)ccc1SC(F)(F)F.
What is the InChIKey of [5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
The InChIKey is RREHLUZXBNCXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2S/c9-7(10)4-1-2-6(5(3-4)15-14)16-8(11,12)13/h1-3,7,15H,14H2.
What are the key properties of [5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine?
[5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine has a molecular weight of 258.22 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-2-(trifluoromethylsulfanyl)phenyl]hydrazine is sourced from PubChem (CID 166641691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).