bis(3,4-difluorophenyl) phenyl phosphate

C18H11F4O4P — CID 138736917

IUPACbis(3,4-difluorophenyl) phenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccc(F)c(F)c1)Oc1ccc(F)c(F)c1
InChIInChI=1S/C18H11F4O4P/c19-15-8-6-13(10-17(15)21)25-27(23,24-12-4-2-1-3-5-12)26-14-7-9-16(20)18(22)11-14/h1-11H
InChIKeyYVKYIIGPGAHSFY-UHFFFAOYSA-N
MW398.25 g/mol
LogP5.89
Rot. Bonds6

About bis(3,4-difluorophenyl) phenyl phosphate

bis(3,4-difluorophenyl) phenyl phosphate (PubChem CID 138736917) has the molecular formula C18H11F4O4P and a molecular weight of 398.25 g/mol. Its IUPAC name is bis(3,4-difluorophenyl) phenyl phosphate.

Molecular Properties

Compound Namebis(3,4-difluorophenyl) phenyl phosphate
PubChem CID138736917
Molecular FormulaC18H11F4O4P
Molecular Weight398.25 g/mol
Exact Mass398.03
IUPAC Namebis(3,4-difluorophenyl) phenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccc(F)c(F)c1)Oc1ccc(F)c(F)c1
InChIInChI=1S/C18H11F4O4P/c19-15-8-6-13(10-17(15)21)25-27(23,24-12-4-2-1-3-5-12)26-14-7-9-16(20)18(22)11-14/h1-11H
InChIKeyYVKYIIGPGAHSFY-UHFFFAOYSA-N
XLogP5.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.25
LogP ≤ 55.89
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

(3,4-difluorophenyl) diphenyl phosphate
CID 138736983
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
(3-fluorophenyl) diphenyl phosphate
CID 154131589
triphenyl phosphate;hydrate
CID 66881958
4-diphenoxyphosphoryl-1,2-difluorobenzene
CID 141456915
tris(4-phenoxyphenyl) phosphate
CID 70576220
oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium
CID 20712633
2-methylpropane;triphenyl phosphate
CID 91193965
(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 126496961
[3-fluoro-4,5-bis(phosphanyl)phenyl] (3-fluoro-4-methyl-5-phosphanylphenyl) phenyl phosphate
CID 138739372
bis(4-chlorophenyl) (3-methylphenyl) phosphate
CID 6426541
[4-(4-diphenoxyphosphoryloxyphenyl)phenoxy]-oxo-phenoxyphosphanium
CID 59104469

Frequently Asked Questions

What is the IUPAC name of bis(3,4-difluorophenyl) phenyl phosphate?
The IUPAC name of bis(3,4-difluorophenyl) phenyl phosphate (CID 138736917) is bis(3,4-difluorophenyl) phenyl phosphate.
What is the SMILES notation for bis(3,4-difluorophenyl) phenyl phosphate?
The canonical SMILES for bis(3,4-difluorophenyl) phenyl phosphate is O=P(Oc1ccccc1)(Oc1ccc(F)c(F)c1)Oc1ccc(F)c(F)c1.
What is the InChIKey of bis(3,4-difluorophenyl) phenyl phosphate?
The InChIKey is YVKYIIGPGAHSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4O4P/c19-15-8-6-13(10-17(15)21)25-27(23,24-12-4-2-1-3-5-12)26-14-7-9-16(20)18(22)11-14/h1-11H.
What are the key properties of bis(3,4-difluorophenyl) phenyl phosphate?
bis(3,4-difluorophenyl) phenyl phosphate has a molecular weight of 398.25 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4-difluorophenyl) phenyl phosphate is sourced from PubChem (CID 138736917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).