1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene

C18H10F5O2P — CID 4652311

IUPAC1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene
SMILESO=P(Oc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H10F5O2P/c19-13-14(20)16(22)18(17(23)15(13)21)25-26(24,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyOOWSDKUFKGVADH-UHFFFAOYSA-N
MW384.24 g/mol
LogP4.69
Rot. Bonds4

About 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene

1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene (PubChem CID 4652311) has the molecular formula C18H10F5O2P and a molecular weight of 384.24 g/mol. Its IUPAC name is 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene
PubChem CID4652311
Molecular FormulaC18H10F5O2P
Molecular Weight384.24 g/mol
Exact Mass384.03
IUPAC Name1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene
SMILESO=P(Oc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H10F5O2P/c19-13-14(20)16(22)18(17(23)15(13)21)25-26(24,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyOOWSDKUFKGVADH-UHFFFAOYSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene (CID 4652311) is 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene is O=P(Oc1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene?
The InChIKey is OOWSDKUFKGVADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5O2P/c19-13-14(20)16(22)18(17(23)15(13)21)25-26(24,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene?
1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene has a molecular weight of 384.24 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryloxy-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 4652311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).