difluorophosphorylbenzene

C6H5F2OP — CID 595499

IUPACdifluorophosphorylbenzene
SMILESO=P(F)(F)c1ccccc1
InChIInChI=1S/C6H5F2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
InChIKeyDLQNMJXSNKPAMA-UHFFFAOYSA-N
MW162.07 g/mol
LogP2.44
Rot. Bonds1

About difluorophosphorylbenzene

difluorophosphorylbenzene (PubChem CID 595499) has the molecular formula C6H5F2OP and a molecular weight of 162.07 g/mol. Its IUPAC name is difluorophosphorylbenzene.

Molecular Properties

Compound Namedifluorophosphorylbenzene
PubChem CID595499
Molecular FormulaC6H5F2OP
Molecular Weight162.07 g/mol
Exact Mass162.00
IUPAC Namedifluorophosphorylbenzene
SMILESO=P(F)(F)c1ccccc1
InChIInChI=1S/C6H5F2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H
InChIKeyDLQNMJXSNKPAMA-UHFFFAOYSA-N
XLogP2.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.07
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluorophosphorylbenzene?
The IUPAC name of difluorophosphorylbenzene (CID 595499) is difluorophosphorylbenzene.
What is the SMILES notation for difluorophosphorylbenzene?
The canonical SMILES for difluorophosphorylbenzene is O=P(F)(F)c1ccccc1.
What is the InChIKey of difluorophosphorylbenzene?
The InChIKey is DLQNMJXSNKPAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2OP/c7-10(8,9)6-4-2-1-3-5-6/h1-5H.
What are the key properties of difluorophosphorylbenzene?
difluorophosphorylbenzene has a molecular weight of 162.07 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluorophosphorylbenzene is sourced from PubChem (CID 595499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).