tris[2-(fluoromethyl)phenyl] phosphate

C21H18F3O4P — CID 68622046

IUPACtris[2-(fluoromethyl)phenyl] phosphate
SMILESO=P(Oc1ccccc1CF)(Oc1ccccc1CF)Oc1ccccc1CF
InChIInChI=1S/C21H18F3O4P/c22-13-16-7-1-4-10-19(16)26-29(25,27-20-11-5-2-8-17(20)14-23)28-21-12-6-3-9-18(21)15-24/h1-12H,13-15H2
InChIKeyCQSQLRWDJCSNFN-UHFFFAOYSA-N
MW422.34 g/mol
LogP6.74
Rot. Bonds9

About tris[2-(fluoromethyl)phenyl] phosphate

tris[2-(fluoromethyl)phenyl] phosphate (PubChem CID 68622046) has the molecular formula C21H18F3O4P and a molecular weight of 422.34 g/mol. Its IUPAC name is tris[2-(fluoromethyl)phenyl] phosphate.

Molecular Properties

Compound Nametris[2-(fluoromethyl)phenyl] phosphate
PubChem CID68622046
Molecular FormulaC21H18F3O4P
Molecular Weight422.34 g/mol
Exact Mass422.09
IUPAC Nametris[2-(fluoromethyl)phenyl] phosphate
SMILESO=P(Oc1ccccc1CF)(Oc1ccccc1CF)Oc1ccccc1CF
InChIInChI=1S/C21H18F3O4P/c22-13-16-7-1-4-10-19(16)26-29(25,27-20-11-5-2-8-17(20)14-23)28-21-12-6-3-9-18(21)15-24/h1-12H,13-15H2
InChIKeyCQSQLRWDJCSNFN-UHFFFAOYSA-N
XLogP6.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.34
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-nonylphenyl) bis(2-octylphenyl) phosphate
CID 71349653
diethyl [2-(sulfanylmethyl)phenyl] phosphate
CID 87703315
2-[2-(fluoromethyl)phenoxy]acetic acid
CID 70537240
1-ethyl-2-[ethyl-(2-ethylphenoxy)phosphoryl]oxybenzene
CID 87155659
CID 174515144
CID 174515144
1-(bromomethyl)-2-[[2-(bromomethyl)phenoxy]-methylphosphoryl]oxybenzene
CID 174422888
sodium;hydride;tris(2-methylphenyl) phosphate;dodecahydrate
CID 174892431
chloro bis(2-chlorophenyl) phosphate
CID 68561656
2-bis(2-carboxyphenoxy)phosphoryloxybenzoic acid
CID 23615741
tris(2,3-dihydroxyphenyl) phosphate
CID 141021157
1-[methyl-(2-prop-2-enylphenoxy)phosphoryl]oxy-2-prop-2-enylbenzene
CID 87155986
tris(2-bromo-3-chlorophenyl) phosphate
CID 87948325

Frequently Asked Questions

What is the IUPAC name of tris[2-(fluoromethyl)phenyl] phosphate?
The IUPAC name of tris[2-(fluoromethyl)phenyl] phosphate (CID 68622046) is tris[2-(fluoromethyl)phenyl] phosphate.
What is the SMILES notation for tris[2-(fluoromethyl)phenyl] phosphate?
The canonical SMILES for tris[2-(fluoromethyl)phenyl] phosphate is O=P(Oc1ccccc1CF)(Oc1ccccc1CF)Oc1ccccc1CF.
What is the InChIKey of tris[2-(fluoromethyl)phenyl] phosphate?
The InChIKey is CQSQLRWDJCSNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3O4P/c22-13-16-7-1-4-10-19(16)26-29(25,27-20-11-5-2-8-17(20)14-23)28-21-12-6-3-9-18(21)15-24/h1-12H,13-15H2.
What are the key properties of tris[2-(fluoromethyl)phenyl] phosphate?
tris[2-(fluoromethyl)phenyl] phosphate has a molecular weight of 422.34 g/mol, XLogP of 6.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-(fluoromethyl)phenyl] phosphate is sourced from PubChem (CID 68622046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).