chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane

C9H9ClF3OPS2 — CID 88695183

IUPACchloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane
SMILESCP(=S)(Cl)Oc1ccccc1SCC(F)(F)F
InChIInChI=1S/C9H9ClF3OPS2/c1-15(10,16)14-7-4-2-3-5-8(7)17-6-9(11,12)13/h2-5H,6H2,1H3
InChIKeyZMJGPTORENKYDU-UHFFFAOYSA-N
MW320.73 g/mol
LogP4.90
Rot. Bonds4

About chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane

chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane (PubChem CID 88695183) has the molecular formula C9H9ClF3OPS2 and a molecular weight of 320.73 g/mol. Its IUPAC name is chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane.

Molecular Properties

Compound Namechloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane
PubChem CID88695183
Molecular FormulaC9H9ClF3OPS2
Molecular Weight320.73 g/mol
Exact Mass319.95
IUPAC Namechloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane
SMILESCP(=S)(Cl)Oc1ccccc1SCC(F)(F)F
InChIInChI=1S/C9H9ClF3OPS2/c1-15(10,16)14-7-4-2-3-5-8(7)17-6-9(11,12)13/h2-5H,6H2,1H3
InChIKeyZMJGPTORENKYDU-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane?
The IUPAC name of chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane (CID 88695183) is chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane.
What is the SMILES notation for chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane?
The canonical SMILES for chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane is CP(=S)(Cl)Oc1ccccc1SCC(F)(F)F.
What is the InChIKey of chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane?
The InChIKey is ZMJGPTORENKYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3OPS2/c1-15(10,16)14-7-4-2-3-5-8(7)17-6-9(11,12)13/h2-5H,6H2,1H3.
What are the key properties of chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane?
chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane has a molecular weight of 320.73 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-methyl-sulfanylidene-[2-(2,2,2-trifluoroethylsulfanyl)phenoxy]-λ5-phosphane is sourced from PubChem (CID 88695183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).