(3,4-difluorophenyl) diphenyl phosphate

C18H13F2O4P — CID 138736983

IUPAC(3,4-difluorophenyl) diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2O4P/c19-17-12-11-16(13-18(17)20)24-25(21,22-14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-13H
InChIKeyYBXDIGSUGWGORV-UHFFFAOYSA-N
MW362.27 g/mol
LogP5.61
Rot. Bonds6

About (3,4-difluorophenyl) diphenyl phosphate

(3,4-difluorophenyl) diphenyl phosphate (PubChem CID 138736983) has the molecular formula C18H13F2O4P and a molecular weight of 362.27 g/mol. Its IUPAC name is (3,4-difluorophenyl) diphenyl phosphate.

Molecular Properties

Compound Name(3,4-difluorophenyl) diphenyl phosphate
PubChem CID138736983
Molecular FormulaC18H13F2O4P
Molecular Weight362.27 g/mol
Exact Mass362.05
IUPAC Name(3,4-difluorophenyl) diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(F)c(F)c1
InChIInChI=1S/C18H13F2O4P/c19-17-12-11-16(13-18(17)20)24-25(21,22-14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-13H
InChIKeyYBXDIGSUGWGORV-UHFFFAOYSA-N
XLogP5.61
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.27
LogP ≤ 55.61
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

bis(3,4-difluorophenyl) phenyl phosphate
CID 138736917
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 (3,4-difluorophenyl) diphenyl phosphate?
The IUPAC name of (3,4-difluorophenyl) diphenyl phosphate (CID 138736983) is (3,4-difluorophenyl) diphenyl phosphate.
What is the SMILES notation for (3,4-difluorophenyl) diphenyl phosphate?
The canonical SMILES for (3,4-difluorophenyl) diphenyl phosphate is O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl) diphenyl phosphate?
The InChIKey is YBXDIGSUGWGORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2O4P/c19-17-12-11-16(13-18(17)20)24-25(21,22-14-7-3-1-4-8-14)23-15-9-5-2-6-10-15/h1-13H.
What are the key properties of (3,4-difluorophenyl) diphenyl phosphate?
(3,4-difluorophenyl) diphenyl phosphate has a molecular weight of 362.27 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl) diphenyl phosphate is sourced from PubChem (CID 138736983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).