(6-fluoroindol-1-yl)sulfanyl-diiodophosphane

C8H5FI2NPS — CID 135136338

IUPAC(6-fluoroindol-1-yl)sulfanyl-diiodophosphane
SMILESFc1ccc2ccn(SP(I)I)c2c1
InChIInChI=1S/C8H5FI2NPS/c9-7-2-1-6-3-4-12(8(6)5-7)14-13(10)11/h1-5H
InChIKeySQKZCAOCIXJATB-UHFFFAOYSA-N
MW450.98 g/mol
LogP5.37
Rot. Bonds2

About (6-fluoroindol-1-yl)sulfanyl-diiodophosphane

(6-fluoroindol-1-yl)sulfanyl-diiodophosphane (PubChem CID 135136338) has the molecular formula C8H5FI2NPS and a molecular weight of 450.98 g/mol. Its IUPAC name is (6-fluoroindol-1-yl)sulfanyl-diiodophosphane.

Molecular Properties

Compound Name(6-fluoroindol-1-yl)sulfanyl-diiodophosphane
PubChem CID135136338
Molecular FormulaC8H5FI2NPS
Molecular Weight450.98 g/mol
Exact Mass450.80
IUPAC Name(6-fluoroindol-1-yl)sulfanyl-diiodophosphane
SMILESFc1ccc2ccn(SP(I)I)c2c1
InChIInChI=1S/C8H5FI2NPS/c9-7-2-1-6-3-4-12(8(6)5-7)14-13(10)11/h1-5H
InChIKeySQKZCAOCIXJATB-UHFFFAOYSA-N
XLogP5.37
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.98
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-fluoroindol-1-yl)sulfanyl-diiodophosphane?
The IUPAC name of (6-fluoroindol-1-yl)sulfanyl-diiodophosphane (CID 135136338) is (6-fluoroindol-1-yl)sulfanyl-diiodophosphane.
What is the SMILES notation for (6-fluoroindol-1-yl)sulfanyl-diiodophosphane?
The canonical SMILES for (6-fluoroindol-1-yl)sulfanyl-diiodophosphane is Fc1ccc2ccn(SP(I)I)c2c1.
What is the InChIKey of (6-fluoroindol-1-yl)sulfanyl-diiodophosphane?
The InChIKey is SQKZCAOCIXJATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FI2NPS/c9-7-2-1-6-3-4-12(8(6)5-7)14-13(10)11/h1-5H.
What are the key properties of (6-fluoroindol-1-yl)sulfanyl-diiodophosphane?
(6-fluoroindol-1-yl)sulfanyl-diiodophosphane has a molecular weight of 450.98 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoroindol-1-yl)sulfanyl-diiodophosphane is sourced from PubChem (CID 135136338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).