[2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine

C9H11F3N2S — CID 166641640

IUPAC[2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESCCc1c(NN)cccc1SC(F)(F)F
InChIInChI=1S/C9H11F3N2S/c1-2-6-7(14-13)4-3-5-8(6)15-9(10,11)12/h3-5,14H,2,13H2,1H3
InChIKeyQMAOGQIDADPUPR-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.15
Rot. Bonds3

About [2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine

[2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine (PubChem CID 166641640) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is [2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine.

Molecular Properties

Compound Name[2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine
PubChem CID166641640
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name[2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine
SMILESCCc1c(NN)cccc1SC(F)(F)F
InChIInChI=1S/C9H11F3N2S/c1-2-6-7(14-13)4-3-5-8(6)15-9(10,11)12/h3-5,14H,2,13H2,1H3
InChIKeyQMAOGQIDADPUPR-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.15
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 [2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine?
The IUPAC name of [2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine (CID 166641640) is [2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine.
What is the SMILES notation for [2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine?
The canonical SMILES for [2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine is CCc1c(NN)cccc1SC(F)(F)F.
What is the InChIKey of [2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine?
The InChIKey is QMAOGQIDADPUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c1-2-6-7(14-13)4-3-5-8(6)15-9(10,11)12/h3-5,14H,2,13H2,1H3.
What are the key properties of [2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine?
[2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine has a molecular weight of 236.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-3-(trifluoromethylsulfanyl)phenyl]hydrazine is sourced from PubChem (CID 166641640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).