1-diphenoxyphosphorylsulfanyl-4-fluorobenzene

C18H14FO3PS — CID 146168775

IUPAC1-diphenoxyphosphorylsulfanyl-4-fluorobenzene
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Sc1ccc(F)cc1
InChIInChI=1S/C18H14FO3PS/c19-15-11-13-18(14-12-15)24-23(20,21-16-7-3-1-4-8-16)22-17-9-5-2-6-10-17/h1-14H
InChIKeyBAHLSMBONRUHMZ-UHFFFAOYSA-N
MW360.35 g/mol
LogP6.18
Rot. Bonds6

About 1-diphenoxyphosphorylsulfanyl-4-fluorobenzene

1-diphenoxyphosphorylsulfanyl-4-fluorobenzene (PubChem CID 146168775) has the molecular formula C18H14FO3PS and a molecular weight of 360.35 g/mol. Its IUPAC name is 1-diphenoxyphosphorylsulfanyl-4-fluorobenzene.

Molecular Properties

Compound Name1-diphenoxyphosphorylsulfanyl-4-fluorobenzene
PubChem CID146168775
Molecular FormulaC18H14FO3PS
Molecular Weight360.35 g/mol
Exact Mass360.04
IUPAC Name1-diphenoxyphosphorylsulfanyl-4-fluorobenzene
SMILESO=P(Oc1ccccc1)(Oc1ccccc1)Sc1ccc(F)cc1
InChIInChI=1S/C18H14FO3PS/c19-15-11-13-18(14-12-15)24-23(20,21-16-7-3-1-4-8-16)22-17-9-5-2-6-10-17/h1-14H
InChIKeyBAHLSMBONRUHMZ-UHFFFAOYSA-N
XLogP6.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.35
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diphenoxyphosphorylsulfanyl-4-fluorobenzene?
The IUPAC name of 1-diphenoxyphosphorylsulfanyl-4-fluorobenzene (CID 146168775) is 1-diphenoxyphosphorylsulfanyl-4-fluorobenzene.
What is the SMILES notation for 1-diphenoxyphosphorylsulfanyl-4-fluorobenzene?
The canonical SMILES for 1-diphenoxyphosphorylsulfanyl-4-fluorobenzene is O=P(Oc1ccccc1)(Oc1ccccc1)Sc1ccc(F)cc1.
What is the InChIKey of 1-diphenoxyphosphorylsulfanyl-4-fluorobenzene?
The InChIKey is BAHLSMBONRUHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FO3PS/c19-15-11-13-18(14-12-15)24-23(20,21-16-7-3-1-4-8-16)22-17-9-5-2-6-10-17/h1-14H.
What are the key properties of 1-diphenoxyphosphorylsulfanyl-4-fluorobenzene?
1-diphenoxyphosphorylsulfanyl-4-fluorobenzene has a molecular weight of 360.35 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenoxyphosphorylsulfanyl-4-fluorobenzene is sourced from PubChem (CID 146168775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).