(1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite

C11H9FINO2S — CID 143203282

IUPAC(1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite
SMILESCOc1c(F)ccc2c1C(C#N)(OSI)CC2
InChIInChI=1S/C11H9FINO2S/c1-15-10-8(12)3-2-7-4-5-11(6-14,9(7)10)16-17-13/h2-3H,4-5H2,1H3
InChIKeyFEKOCSXVGBQREE-UHFFFAOYSA-N
MW365.17 g/mol
LogP3.51
Rot. Bonds3

About (1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite

(1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite (PubChem CID 143203282) has the molecular formula C11H9FINO2S and a molecular weight of 365.17 g/mol. Its IUPAC name is (1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite.

Molecular Properties

Compound Name(1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite
PubChem CID143203282
Molecular FormulaC11H9FINO2S
Molecular Weight365.17 g/mol
Exact Mass364.94
IUPAC Name(1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite
SMILESCOc1c(F)ccc2c1C(C#N)(OSI)CC2
InChIInChI=1S/C11H9FINO2S/c1-15-10-8(12)3-2-7-4-5-11(6-14,9(7)10)16-17-13/h2-3H,4-5H2,1H3
InChIKeyFEKOCSXVGBQREE-UHFFFAOYSA-N
XLogP3.51
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite?
The IUPAC name of (1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite (CID 143203282) is (1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite.
What is the SMILES notation for (1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite?
The canonical SMILES for (1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite is COc1c(F)ccc2c1C(C#N)(OSI)CC2.
What is the InChIKey of (1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite?
The InChIKey is FEKOCSXVGBQREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FINO2S/c1-15-10-8(12)3-2-7-4-5-11(6-14,9(7)10)16-17-13/h2-3H,4-5H2,1H3.
What are the key properties of (1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite?
(1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite has a molecular weight of 365.17 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyano-6-fluoro-7-methoxy-2,3-dihydroinden-1-yl)oxy thiohypoiodite is sourced from PubChem (CID 143203282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).