[2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium

C23H20FNOPS+ — CID 3303005

IUPAC[2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESCSc1oc(CF)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20FNOPS/c1-28-23-22(25-21(17-24)26-23)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1
InChIKeyKFPFRPJFVVAPFE-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.49
Rot. Bonds6

About [2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium

[2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium (PubChem CID 3303005) has the molecular formula C23H20FNOPS+ and a molecular weight of 408.46 g/mol. Its IUPAC name is [2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
PubChem CID3303005
Molecular FormulaC23H20FNOPS+
Molecular Weight408.46 g/mol
Exact Mass408.10
IUPAC Name[2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium
SMILESCSc1oc(CF)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20FNOPS/c1-28-23-22(25-21(17-24)26-23)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1
InChIKeyKFPFRPJFVVAPFE-UHFFFAOYSA-N
XLogP4.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The IUPAC name of [2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium (CID 3303005) is [2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium.
What is the SMILES notation for [2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The canonical SMILES for [2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium is CSc1oc(CF)nc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium?
The InChIKey is KFPFRPJFVVAPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FNOPS/c1-28-23-22(25-21(17-24)26-23)27(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,17H2,1H3/q+1.
What are the key properties of [2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium?
[2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium has a molecular weight of 408.46 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)-5-methylsulfanyl-1,3-oxazol-4-yl]-triphenylphosphanium is sourced from PubChem (CID 3303005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).