tris[(4-fluorophenyl)methyl] phosphate

C21H18F3O4P — CID 139934024

IUPACtris[(4-fluorophenyl)methyl] phosphate
SMILESO=P(OCc1ccc(F)cc1)(OCc1ccc(F)cc1)OCc1ccc(F)cc1
InChIInChI=1S/C21H18F3O4P/c22-19-7-1-16(2-8-19)13-26-29(25,27-14-17-3-9-20(23)10-4-17)28-15-18-5-11-21(24)12-6-18/h1-12H,13-15H2
InChIKeyLVNYFJCDVPUKDR-UHFFFAOYSA-N
MW422.34 g/mol
LogP6.16
Rot. Bonds9

About tris[(4-fluorophenyl)methyl] phosphate

tris[(4-fluorophenyl)methyl] phosphate (PubChem CID 139934024) has the molecular formula C21H18F3O4P and a molecular weight of 422.34 g/mol. Its IUPAC name is tris[(4-fluorophenyl)methyl] phosphate.

Molecular Properties

Compound Nametris[(4-fluorophenyl)methyl] phosphate
PubChem CID139934024
Molecular FormulaC21H18F3O4P
Molecular Weight422.34 g/mol
Exact Mass422.09
IUPAC Nametris[(4-fluorophenyl)methyl] phosphate
SMILESO=P(OCc1ccc(F)cc1)(OCc1ccc(F)cc1)OCc1ccc(F)cc1
InChIInChI=1S/C21H18F3O4P/c22-19-7-1-16(2-8-19)13-26-29(25,27-14-17-3-9-20(23)10-4-17)28-15-18-5-11-21(24)12-6-18/h1-12H,13-15H2
InChIKeyLVNYFJCDVPUKDR-UHFFFAOYSA-N
XLogP6.16
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 ≤ 56.16
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

(4-fluorophenyl)methoxy-methylphosphinic acid
CID 87156273
[ethoxy-[(4-fluorophenyl)methoxy]phosphoryl]methanol
CID 170897190
diethyl (3-fluorophenyl)methyl phosphate
CID 68974246
[(1S)-1-[(2R)-3,4-bis[(4-fluorophenyl)methoxy]-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] bis[(4-fluorophenyl)methyl] phosphate
CID 71261955
N'-(4-fluorobenzoyl)-4-(methoxymethyl)benzohydrazide
CID 8573769
dibenzyl chloromethyl phosphate;ethane
CID 144742868
dibenzyl benzylperoxymethyl phosphate
CID 138564478
(4-fluorophenyl)methyl acetate
CID 14793785
1-[dideuterio(diethoxyphosphoryl)methyl]-4-fluorobenzene
CID 10060553
(4-fluorophenyl)methoxy-trimethylsilane
CID 573272
[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
benzyl bis(2-phenoxyethyl) phosphate
CID 159104458

Frequently Asked Questions

What is the IUPAC name of tris[(4-fluorophenyl)methyl] phosphate?
The IUPAC name of tris[(4-fluorophenyl)methyl] phosphate (CID 139934024) is tris[(4-fluorophenyl)methyl] phosphate.
What is the SMILES notation for tris[(4-fluorophenyl)methyl] phosphate?
The canonical SMILES for tris[(4-fluorophenyl)methyl] phosphate is O=P(OCc1ccc(F)cc1)(OCc1ccc(F)cc1)OCc1ccc(F)cc1.
What is the InChIKey of tris[(4-fluorophenyl)methyl] phosphate?
The InChIKey is LVNYFJCDVPUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3O4P/c22-19-7-1-16(2-8-19)13-26-29(25,27-14-17-3-9-20(23)10-4-17)28-15-18-5-11-21(24)12-6-18/h1-12H,13-15H2.
What are the key properties of tris[(4-fluorophenyl)methyl] phosphate?
tris[(4-fluorophenyl)methyl] phosphate has a molecular weight of 422.34 g/mol, XLogP of 6.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(4-fluorophenyl)methyl] phosphate is sourced from PubChem (CID 139934024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).