1-(diphenylphosphoryloxymethyl)-4-fluorobenzene

C19H16FO2P — CID 122203740

IUPAC1-(diphenylphosphoryloxymethyl)-4-fluorobenzene
SMILESO=P(OCc1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16FO2P/c20-17-13-11-16(12-14-17)15-22-23(21,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2
InChIKeyRSMZKAXBEVTQOK-UHFFFAOYSA-N
MW326.31 g/mol
LogP4.27
Rot. Bonds5

About 1-(diphenylphosphoryloxymethyl)-4-fluorobenzene

1-(diphenylphosphoryloxymethyl)-4-fluorobenzene (PubChem CID 122203740) has the molecular formula C19H16FO2P and a molecular weight of 326.31 g/mol. Its IUPAC name is 1-(diphenylphosphoryloxymethyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(diphenylphosphoryloxymethyl)-4-fluorobenzene
PubChem CID122203740
Molecular FormulaC19H16FO2P
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name1-(diphenylphosphoryloxymethyl)-4-fluorobenzene
SMILESO=P(OCc1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16FO2P/c20-17-13-11-16(12-14-17)15-22-23(21,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2
InChIKeyRSMZKAXBEVTQOK-UHFFFAOYSA-N
XLogP4.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(diphenylphosphoryloxymethyl)-4-fluorobenzene?
The IUPAC name of 1-(diphenylphosphoryloxymethyl)-4-fluorobenzene (CID 122203740) is 1-(diphenylphosphoryloxymethyl)-4-fluorobenzene.
What is the SMILES notation for 1-(diphenylphosphoryloxymethyl)-4-fluorobenzene?
The canonical SMILES for 1-(diphenylphosphoryloxymethyl)-4-fluorobenzene is O=P(OCc1ccc(F)cc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(diphenylphosphoryloxymethyl)-4-fluorobenzene?
The InChIKey is RSMZKAXBEVTQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FO2P/c20-17-13-11-16(12-14-17)15-22-23(21,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14H,15H2.
What are the key properties of 1-(diphenylphosphoryloxymethyl)-4-fluorobenzene?
1-(diphenylphosphoryloxymethyl)-4-fluorobenzene has a molecular weight of 326.31 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenylphosphoryloxymethyl)-4-fluorobenzene is sourced from PubChem (CID 122203740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).