[(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite

C6H8F3IO2S — CID 166159203

IUPAC[(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite
SMILESCC1CO[C@](OSI)(C(F)(F)F)C1
InChIInChI=1S/C6H8F3IO2S/c1-4-2-5(11-3-4,12-13-10)6(7,8)9/h4H,2-3H2,1H3/t4?,5-/m1/s1
InChIKeyPODQIYLOZAMMOB-BRJRFNKRSA-N
MW328.09 g/mol
LogP3.32
Rot. Bonds2

About [(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite

[(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite (PubChem CID 166159203) has the molecular formula C6H8F3IO2S and a molecular weight of 328.09 g/mol. Its IUPAC name is [(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite.

Molecular Properties

Compound Name[(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite
PubChem CID166159203
Molecular FormulaC6H8F3IO2S
Molecular Weight328.09 g/mol
Exact Mass327.92
IUPAC Name[(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite
SMILESCC1CO[C@](OSI)(C(F)(F)F)C1
InChIInChI=1S/C6H8F3IO2S/c1-4-2-5(11-3-4,12-13-10)6(7,8)9/h4H,2-3H2,1H3/t4?,5-/m1/s1
InChIKeyPODQIYLOZAMMOB-BRJRFNKRSA-N
XLogP3.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.09
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite?
The IUPAC name of [(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite (CID 166159203) is [(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite.
What is the SMILES notation for [(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite?
The canonical SMILES for [(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite is CC1CO[C@](OSI)(C(F)(F)F)C1.
What is the InChIKey of [(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite?
The InChIKey is PODQIYLOZAMMOB-BRJRFNKRSA-N. The full InChI is InChI=1S/C6H8F3IO2S/c1-4-2-5(11-3-4,12-13-10)6(7,8)9/h4H,2-3H2,1H3/t4?,5-/m1/s1.
What are the key properties of [(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite?
[(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite has a molecular weight of 328.09 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-methyl-2-(trifluoromethyl)oxolan-2-yl]oxy thiohypoiodite is sourced from PubChem (CID 166159203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).