N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine

C3H6F3NOS — CID 155122425

IUPACN-[2-(trifluoromethoxy)ethyl]thiohydroxylamine
SMILESFC(F)(F)OCCNS
InChIInChI=1S/C3H6F3NOS/c4-3(5,6)8-2-1-7-9/h7,9H,1-2H2
InChIKeyOOOOTTMKOISNAW-UHFFFAOYSA-N
MW161.15 g/mol
LogP0.96
Rot. Bonds3

About N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine

N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine (PubChem CID 155122425) has the molecular formula C3H6F3NOS and a molecular weight of 161.15 g/mol. Its IUPAC name is N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[2-(trifluoromethoxy)ethyl]thiohydroxylamine
PubChem CID155122425
Molecular FormulaC3H6F3NOS
Molecular Weight161.15 g/mol
Exact Mass161.01
IUPAC NameN-[2-(trifluoromethoxy)ethyl]thiohydroxylamine
SMILESFC(F)(F)OCCNS
InChIInChI=1S/C3H6F3NOS/c4-3(5,6)8-2-1-7-9/h7,9H,1-2H2
InChIKeyOOOOTTMKOISNAW-UHFFFAOYSA-N
XLogP0.96
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine?
The IUPAC name of N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine (CID 155122425) is N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine.
What is the SMILES notation for N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine?
The canonical SMILES for N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine is FC(F)(F)OCCNS.
What is the InChIKey of N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine?
The InChIKey is OOOOTTMKOISNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F3NOS/c4-3(5,6)8-2-1-7-9/h7,9H,1-2H2.
What are the key properties of N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine?
N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine has a molecular weight of 161.15 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethoxy)ethyl]thiohydroxylamine is sourced from PubChem (CID 155122425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).