difluorophosphoryloxybenzene

C6H5F2O2P — CID 12640471

IUPACdifluorophosphoryloxybenzene
SMILESO=P(F)(F)Oc1ccccc1
InChIInChI=1S/C6H5F2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H
InChIKeyYRLQYTUFYPUCAE-UHFFFAOYSA-N
MW178.07 g/mol
LogP3.11
Rot. Bonds2

About difluorophosphoryloxybenzene

difluorophosphoryloxybenzene (PubChem CID 12640471) has the molecular formula C6H5F2O2P and a molecular weight of 178.07 g/mol. Its IUPAC name is difluorophosphoryloxybenzene.

Molecular Properties

Compound Namedifluorophosphoryloxybenzene
PubChem CID12640471
Molecular FormulaC6H5F2O2P
Molecular Weight178.07 g/mol
Exact Mass178.00
IUPAC Namedifluorophosphoryloxybenzene
SMILESO=P(F)(F)Oc1ccccc1
InChIInChI=1S/C6H5F2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H
InChIKeyYRLQYTUFYPUCAE-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.07
LogP ≤ 53.11
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 difluorophosphoryloxybenzene?
The IUPAC name of difluorophosphoryloxybenzene (CID 12640471) is difluorophosphoryloxybenzene.
What is the SMILES notation for difluorophosphoryloxybenzene?
The canonical SMILES for difluorophosphoryloxybenzene is O=P(F)(F)Oc1ccccc1.
What is the InChIKey of difluorophosphoryloxybenzene?
The InChIKey is YRLQYTUFYPUCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2O2P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H.
What are the key properties of difluorophosphoryloxybenzene?
difluorophosphoryloxybenzene has a molecular weight of 178.07 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphoryloxybenzene is sourced from PubChem (CID 12640471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).