diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium

C22H15F4O3S+ — CID 59379032

IUPACdiphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium
SMILESO=C1OCCC1Oc1c(F)c(F)c([S+](c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C22H15F4O3S/c23-16-18(25)21(19(26)17(24)20(16)29-15-11-12-28-22(15)27)30(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2/q+1
InChIKeyHEDCMKLUMROEKN-UHFFFAOYSA-N
MW435.42 g/mol
LogP5.03
Rot. Bonds5

About diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium

diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium (PubChem CID 59379032) has the molecular formula C22H15F4O3S+ and a molecular weight of 435.42 g/mol. Its IUPAC name is diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium.

Molecular Properties

Compound Namediphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium
PubChem CID59379032
Molecular FormulaC22H15F4O3S+
Molecular Weight435.42 g/mol
Exact Mass435.07
IUPAC Namediphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium
SMILESO=C1OCCC1Oc1c(F)c(F)c([S+](c2ccccc2)c2ccccc2)c(F)c1F
InChIInChI=1S/C22H15F4O3S/c23-16-18(25)21(19(26)17(24)20(16)29-15-11-12-28-22(15)27)30(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2/q+1
InChIKeyHEDCMKLUMROEKN-UHFFFAOYSA-N
XLogP5.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium?
The IUPAC name of diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium (CID 59379032) is diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium.
What is the SMILES notation for diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium?
The canonical SMILES for diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium is O=C1OCCC1Oc1c(F)c(F)c([S+](c2ccccc2)c2ccccc2)c(F)c1F.
What is the InChIKey of diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium?
The InChIKey is HEDCMKLUMROEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4O3S/c23-16-18(25)21(19(26)17(24)20(16)29-15-11-12-28-22(15)27)30(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2/q+1.
What are the key properties of diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium?
diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium has a molecular weight of 435.42 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2,3,5,6-tetrafluoro-4-(2-oxooxolan-3-yl)oxyphenyl]sulfanium is sourced from PubChem (CID 59379032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).