difluorophosphorylsulfanylbenzene

C6H5F2OPS — CID 23416246

IUPACdifluorophosphorylsulfanylbenzene
SMILESO=P(F)(F)Sc1ccccc1
InChIInChI=1S/C6H5F2OPS/c7-10(8,9)11-6-4-2-1-3-5-6/h1-5H
InChIKeyMFHWSXZXRIDCDI-UHFFFAOYSA-N
MW194.14 g/mol
LogP3.83
Rot. Bonds2

About difluorophosphorylsulfanylbenzene

difluorophosphorylsulfanylbenzene (PubChem CID 23416246) has the molecular formula C6H5F2OPS and a molecular weight of 194.14 g/mol. Its IUPAC name is difluorophosphorylsulfanylbenzene.

Molecular Properties

Compound Namedifluorophosphorylsulfanylbenzene
PubChem CID23416246
Molecular FormulaC6H5F2OPS
Molecular Weight194.14 g/mol
Exact Mass193.98
IUPAC Namedifluorophosphorylsulfanylbenzene
SMILESO=P(F)(F)Sc1ccccc1
InChIInChI=1S/C6H5F2OPS/c7-10(8,9)11-6-4-2-1-3-5-6/h1-5H
InChIKeyMFHWSXZXRIDCDI-UHFFFAOYSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.14
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluorophosphorylsulfanylbenzene?
The IUPAC name of difluorophosphorylsulfanylbenzene (CID 23416246) is difluorophosphorylsulfanylbenzene.
What is the SMILES notation for difluorophosphorylsulfanylbenzene?
The canonical SMILES for difluorophosphorylsulfanylbenzene is O=P(F)(F)Sc1ccccc1.
What is the InChIKey of difluorophosphorylsulfanylbenzene?
The InChIKey is MFHWSXZXRIDCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2OPS/c7-10(8,9)11-6-4-2-1-3-5-6/h1-5H.
What are the key properties of difluorophosphorylsulfanylbenzene?
difluorophosphorylsulfanylbenzene has a molecular weight of 194.14 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphorylsulfanylbenzene is sourced from PubChem (CID 23416246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).