phenyl-bis(trifluoromethylsulfonyl)phosphane

C8H5F6O4PS2 — CID 87352746

IUPACphenyl-bis(trifluoromethylsulfonyl)phosphane
SMILESO=S(=O)(P(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F6O4PS2/c9-7(10,11)20(15,16)19(6-4-2-1-3-5-6)21(17,18)8(12,13)14/h1-5H
InChIKeyGJMAOMLJUIHWLA-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.49
Rot. Bonds3

About phenyl-bis(trifluoromethylsulfonyl)phosphane

phenyl-bis(trifluoromethylsulfonyl)phosphane (PubChem CID 87352746) has the molecular formula C8H5F6O4PS2 and a molecular weight of 374.22 g/mol. Its IUPAC name is phenyl-bis(trifluoromethylsulfonyl)phosphane.

Molecular Properties

Compound Namephenyl-bis(trifluoromethylsulfonyl)phosphane
PubChem CID87352746
Molecular FormulaC8H5F6O4PS2
Molecular Weight374.22 g/mol
Exact Mass373.93
IUPAC Namephenyl-bis(trifluoromethylsulfonyl)phosphane
SMILESO=S(=O)(P(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F6O4PS2/c9-7(10,11)20(15,16)19(6-4-2-1-3-5-6)21(17,18)8(12,13)14/h1-5H
InChIKeyGJMAOMLJUIHWLA-UHFFFAOYSA-N
XLogP2.49
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.49
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 phenyl-bis(trifluoromethylsulfonyl)phosphane?
The IUPAC name of phenyl-bis(trifluoromethylsulfonyl)phosphane (CID 87352746) is phenyl-bis(trifluoromethylsulfonyl)phosphane.
What is the SMILES notation for phenyl-bis(trifluoromethylsulfonyl)phosphane?
The canonical SMILES for phenyl-bis(trifluoromethylsulfonyl)phosphane is O=S(=O)(P(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of phenyl-bis(trifluoromethylsulfonyl)phosphane?
The InChIKey is GJMAOMLJUIHWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F6O4PS2/c9-7(10,11)20(15,16)19(6-4-2-1-3-5-6)21(17,18)8(12,13)14/h1-5H.
What are the key properties of phenyl-bis(trifluoromethylsulfonyl)phosphane?
phenyl-bis(trifluoromethylsulfonyl)phosphane has a molecular weight of 374.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-bis(trifluoromethylsulfonyl)phosphane is sourced from PubChem (CID 87352746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).