[di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene

C13H19F2O3PSe — CID 10926784

IUPAC[di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene
SMILESCC(C)OP(=O)(OC(C)C)C(F)(F)[Se]c1ccccc1
InChIInChI=1S/C13H19F2O3PSe/c1-10(2)17-19(16,18-11(3)4)13(14,15)20-12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyLKMHALGIDPEEPM-UHFFFAOYSA-N
MW371.22 g/mol
LogP3.61
Rot. Bonds7

About [di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene

[di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene (PubChem CID 10926784) has the molecular formula C13H19F2O3PSe and a molecular weight of 371.22 g/mol. Its IUPAC name is [di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene.

Molecular Properties

Compound Name[di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene
PubChem CID10926784
Molecular FormulaC13H19F2O3PSe
Molecular Weight371.22 g/mol
Exact Mass372.02
IUPAC Name[di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene
SMILESCC(C)OP(=O)(OC(C)C)C(F)(F)[Se]c1ccccc1
InChIInChI=1S/C13H19F2O3PSe/c1-10(2)17-19(16,18-11(3)4)13(14,15)20-12-8-6-5-7-9-12/h5-11H,1-4H3
InChIKeyLKMHALGIDPEEPM-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene?
The IUPAC name of [di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene (CID 10926784) is [di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene.
What is the SMILES notation for [di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene?
The canonical SMILES for [di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene is CC(C)OP(=O)(OC(C)C)C(F)(F)[Se]c1ccccc1.
What is the InChIKey of [di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene?
The InChIKey is LKMHALGIDPEEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2O3PSe/c1-10(2)17-19(16,18-11(3)4)13(14,15)20-12-8-6-5-7-9-12/h5-11H,1-4H3.
What are the key properties of [di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene?
[di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene has a molecular weight of 371.22 g/mol, XLogP of 3.61, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propan-2-yloxy)phosphoryl-difluoromethyl]selanylbenzene is sourced from PubChem (CID 10926784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).