potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane

C10H11F3KO5PS2 — CID 88698911

IUPACpotassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane
SMILESCCOP([O-])(=S)Oc1ccc(S(=O)(=O)CC(F)(F)F)cc1.[K+]
InChIInChI=1S/C10H12F3O5PS2.K/c1-2-17-19(14,20)18-8-3-5-9(6-4-8)21(15,16)7-10(11,12)13;/h3-6H,2,7H2,1H3,(H,14,20);/q;+1/p-1
InChIKeyVVKVUKBNYNLDDP-UHFFFAOYSA-M
MW402.39 g/mol
LogP-0.97
Rot. Bonds6

About potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane

potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane (PubChem CID 88698911) has the molecular formula C10H11F3KO5PS2 and a molecular weight of 402.39 g/mol. Its IUPAC name is potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane.

Molecular Properties

Compound Namepotassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane
PubChem CID88698911
Molecular FormulaC10H11F3KO5PS2
Molecular Weight402.39 g/mol
Exact Mass401.94
IUPAC Namepotassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane
SMILESCCOP([O-])(=S)Oc1ccc(S(=O)(=O)CC(F)(F)F)cc1.[K+]
InChIInChI=1S/C10H12F3O5PS2.K/c1-2-17-19(14,20)18-8-3-5-9(6-4-8)21(15,16)7-10(11,12)13;/h3-6H,2,7H2,1H3,(H,14,20);/q;+1/p-1
InChIKeyVVKVUKBNYNLDDP-UHFFFAOYSA-M
XLogP-0.97
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 5-0.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane?
The IUPAC name of potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane (CID 88698911) is potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane.
What is the SMILES notation for potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane?
The canonical SMILES for potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane is CCOP([O-])(=S)Oc1ccc(S(=O)(=O)CC(F)(F)F)cc1.[K+].
What is the InChIKey of potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane?
The InChIKey is VVKVUKBNYNLDDP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12F3O5PS2.K/c1-2-17-19(14,20)18-8-3-5-9(6-4-8)21(15,16)7-10(11,12)13;/h3-6H,2,7H2,1H3,(H,14,20);/q;+1/p-1.
What are the key properties of potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane?
potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane has a molecular weight of 402.39 g/mol, XLogP of -0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium ethoxy-oxido-sulfanylidene-[4-(2,2,2-trifluoroethylsulfonyl)phenoxy]-λ5-phosphane is sourced from PubChem (CID 88698911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).