difluoro [4-(fluoromethyl)phenyl] phosphate

C7H6F3O4P — CID 66974019

IUPACdifluoro [4-(fluoromethyl)phenyl] phosphate
SMILESO=P(OF)(OF)Oc1ccc(CF)cc1
InChIInChI=1S/C7H6F3O4P/c8-5-6-1-3-7(4-2-6)12-15(11,13-9)14-10/h1-4H,5H2
InChIKeyQPMROPSVWDUSKQ-UHFFFAOYSA-N
MW242.09 g/mol
LogP3.45
Rot. Bonds5

About difluoro [4-(fluoromethyl)phenyl] phosphate

difluoro [4-(fluoromethyl)phenyl] phosphate (PubChem CID 66974019) has the molecular formula C7H6F3O4P and a molecular weight of 242.09 g/mol. Its IUPAC name is difluoro [4-(fluoromethyl)phenyl] phosphate.

Molecular Properties

Compound Namedifluoro [4-(fluoromethyl)phenyl] phosphate
PubChem CID66974019
Molecular FormulaC7H6F3O4P
Molecular Weight242.09 g/mol
Exact Mass242.00
IUPAC Namedifluoro [4-(fluoromethyl)phenyl] phosphate
SMILESO=P(OF)(OF)Oc1ccc(CF)cc1
InChIInChI=1S/C7H6F3O4P/c8-5-6-1-3-7(4-2-6)12-15(11,13-9)14-10/h1-4H,5H2
InChIKeyQPMROPSVWDUSKQ-UHFFFAOYSA-N
XLogP3.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.09
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze difluoro [4-(fluoromethyl)phenyl] phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of difluoro [4-(fluoromethyl)phenyl] phosphate?
The IUPAC name of difluoro [4-(fluoromethyl)phenyl] phosphate (CID 66974019) is difluoro [4-(fluoromethyl)phenyl] phosphate.
What is the SMILES notation for difluoro [4-(fluoromethyl)phenyl] phosphate?
The canonical SMILES for difluoro [4-(fluoromethyl)phenyl] phosphate is O=P(OF)(OF)Oc1ccc(CF)cc1.
What is the InChIKey of difluoro [4-(fluoromethyl)phenyl] phosphate?
The InChIKey is QPMROPSVWDUSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3O4P/c8-5-6-1-3-7(4-2-6)12-15(11,13-9)14-10/h1-4H,5H2.
What are the key properties of difluoro [4-(fluoromethyl)phenyl] phosphate?
difluoro [4-(fluoromethyl)phenyl] phosphate has a molecular weight of 242.09 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro [4-(fluoromethyl)phenyl] phosphate is sourced from PubChem (CID 66974019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).