1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene

C19H16FO4PS — CID 154879894

IUPAC1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene
SMILESO=P(Cc1ccccc1OS(=O)(=O)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16FO4PS/c20-26(22,23)24-19-14-8-7-9-16(19)15-25(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2
InChIKeyCEBIXDVLVRUPNS-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.79
Rot. Bonds6

About 1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene

1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene (PubChem CID 154879894) has the molecular formula C19H16FO4PS and a molecular weight of 390.37 g/mol. Its IUPAC name is 1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene.

Molecular Properties

Compound Name1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene
PubChem CID154879894
Molecular FormulaC19H16FO4PS
Molecular Weight390.37 g/mol
Exact Mass390.05
IUPAC Name1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene
SMILESO=P(Cc1ccccc1OS(=O)(=O)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16FO4PS/c20-26(22,23)24-19-14-8-7-9-16(19)15-25(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2
InChIKeyCEBIXDVLVRUPNS-UHFFFAOYSA-N
XLogP3.79
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.79
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-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene?
The IUPAC name of 1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene (CID 154879894) is 1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene.
What is the SMILES notation for 1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene?
The canonical SMILES for 1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene is O=P(Cc1ccccc1OS(=O)(=O)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene?
The InChIKey is CEBIXDVLVRUPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FO4PS/c20-26(22,23)24-19-14-8-7-9-16(19)15-25(21,17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14H,15H2.
What are the key properties of 1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene?
1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene has a molecular weight of 390.37 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenylphosphorylmethyl)-2-fluorosulfonyloxybenzene is sourced from PubChem (CID 154879894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).