(3-fluorophenyl) diphenyl phosphate

C18H14FO4P — CID 154131589

IUPAC(3-fluorophenyl) diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(F)c1
InChIInChI=1S/C18H14FO4P/c19-15-8-7-13-18(14-15)23-24(20,21-16-9-3-1-4-10-16)22-17-11-5-2-6-12-17/h1-14H
InChIKeyBCSDKOWTOXGZFA-UHFFFAOYSA-N
MW344.28 g/mol
LogP5.47
Rot. Bonds6

About (3-fluorophenyl) diphenyl phosphate

(3-fluorophenyl) diphenyl phosphate (PubChem CID 154131589) has the molecular formula C18H14FO4P and a molecular weight of 344.28 g/mol. Its IUPAC name is (3-fluorophenyl) diphenyl phosphate.

Molecular Properties

Compound Name(3-fluorophenyl) diphenyl phosphate
PubChem CID154131589
Molecular FormulaC18H14FO4P
Molecular Weight344.28 g/mol
Exact Mass344.06
IUPAC Name(3-fluorophenyl) diphenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(F)c1
InChIInChI=1S/C18H14FO4P/c19-15-8-7-13-18(14-15)23-24(20,21-16-9-3-1-4-10-16)22-17-11-5-2-6-12-17/h1-14H
InChIKeyBCSDKOWTOXGZFA-UHFFFAOYSA-N
XLogP5.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.28
LogP ≤ 55.47
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
triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
oxo-[3-[[3-[oxo(phenoxy)phosphaniumyl]oxyphenoxy]-phenoxyphosphoryl]oxyphenoxy]-phenoxyphosphanium
CID 20712633
tris(4-phenoxyphenyl) phosphate
CID 70576220
2-methylpropane;triphenyl phosphate
CID 91193965
[3-(1-chloro-2,2,2-trifluoroethyl)phenyl] diphenyl phosphate
CID 3266050
[3-[(3-hydroxyphenoxy)-phenoxyphosphoryl]oxyphenoxy]-oxo-phenoxyphosphanium
CID 59089948
dimethyl phenyl phosphate;ethane;trimethyl phosphate
CID 90867053
methyl (3-methylphenyl) phenyl phosphate
CID 21410402
diphenyl silyl phosphate
CID 71371486
CID 175741196
CID 175741196

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl) diphenyl phosphate?
The IUPAC name of (3-fluorophenyl) diphenyl phosphate (CID 154131589) is (3-fluorophenyl) diphenyl phosphate.
What is the SMILES notation for (3-fluorophenyl) diphenyl phosphate?
The canonical SMILES for (3-fluorophenyl) diphenyl phosphate is O=P(Oc1ccccc1)(Oc1ccccc1)Oc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl) diphenyl phosphate?
The InChIKey is BCSDKOWTOXGZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FO4P/c19-15-8-7-13-18(14-15)23-24(20,21-16-9-3-1-4-10-16)22-17-11-5-2-6-12-17/h1-14H.
What are the key properties of (3-fluorophenyl) diphenyl phosphate?
(3-fluorophenyl) diphenyl phosphate has a molecular weight of 344.28 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl) diphenyl phosphate is sourced from PubChem (CID 154131589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).