[(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite

C8H7F3INO — CID 90048096

IUPAC[(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite
SMILESCc1ccc([C@H](OI)C(F)(F)F)cn1
InChIInChI=1S/C8H7F3INO/c1-5-2-3-6(4-13-5)7(14-12)8(9,10)11/h2-4,7H,1H3/t7-/m0/s1
InChIKeyWVJHITGBRMFQSZ-ZETCQYMHSA-N
MW317.05 g/mol
LogP3.36
Rot. Bonds2

About [(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite

[(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite (PubChem CID 90048096) has the molecular formula C8H7F3INO and a molecular weight of 317.05 g/mol. Its IUPAC name is [(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite.

Molecular Properties

Compound Name[(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite
PubChem CID90048096
Molecular FormulaC8H7F3INO
Molecular Weight317.05 g/mol
Exact Mass316.95
IUPAC Name[(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite
SMILESCc1ccc([C@H](OI)C(F)(F)F)cn1
InChIInChI=1S/C8H7F3INO/c1-5-2-3-6(4-13-5)7(14-12)8(9,10)11/h2-4,7H,1H3/t7-/m0/s1
InChIKeyWVJHITGBRMFQSZ-ZETCQYMHSA-N
XLogP3.36
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.05
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite?
The IUPAC name of [(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite (CID 90048096) is [(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite.
What is the SMILES notation for [(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite?
The canonical SMILES for [(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite is Cc1ccc([C@H](OI)C(F)(F)F)cn1.
What is the InChIKey of [(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite?
The InChIKey is WVJHITGBRMFQSZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H7F3INO/c1-5-2-3-6(4-13-5)7(14-12)8(9,10)11/h2-4,7H,1H3/t7-/m0/s1.
What are the key properties of [(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite?
[(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite has a molecular weight of 317.05 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl] hypoiodite is sourced from PubChem (CID 90048096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).