diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane

C11H14F3O3PS — CID 15582593

IUPACdiethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3O3PS/c1-3-15-18(19,16-4-2)17-10-7-5-9(6-8-10)11(12,13)14/h5-8H,3-4H2,1-2H3
InChIKeyIPSDJTXLHUVKQJ-UHFFFAOYSA-N
MW314.27 g/mol
LogP4.38
Rot. Bonds6

About diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane

diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane (PubChem CID 15582593) has the molecular formula C11H14F3O3PS and a molecular weight of 314.27 g/mol. Its IUPAC name is diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane
PubChem CID15582593
Molecular FormulaC11H14F3O3PS
Molecular Weight314.27 g/mol
Exact Mass314.04
IUPAC Namediethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane
SMILESCCOP(=S)(OCC)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H14F3O3PS/c1-3-15-18(19,16-4-2)17-10-7-5-9(6-8-10)11(12,13)14/h5-8H,3-4H2,1-2H3
InChIKeyIPSDJTXLHUVKQJ-UHFFFAOYSA-N
XLogP4.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 54.38
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 diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane?
The IUPAC name of diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane (CID 15582593) is diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane.
What is the SMILES notation for diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane?
The canonical SMILES for diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane is CCOP(=S)(OCC)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane?
The InChIKey is IPSDJTXLHUVKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3O3PS/c1-3-15-18(19,16-4-2)17-10-7-5-9(6-8-10)11(12,13)14/h5-8H,3-4H2,1-2H3.
What are the key properties of diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane?
diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane has a molecular weight of 314.27 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-sulfanylidene-[4-(trifluoromethyl)phenoxy]-λ5-phosphane is sourced from PubChem (CID 15582593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).