diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane

C11H10F7O2PS — CID 12663672

IUPACdiethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane
SMILESCCOP(=S)(OCC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C11H10F7O2PS/c1-3-19-21(22,20-4-2)10-8(14)6(12)5(11(16,17)18)7(13)9(10)15/h3-4H2,1-2H3
InChIKeyGHQBCAWEAOIFPO-UHFFFAOYSA-N
MW370.23 g/mol
LogP4.27
Rot. Bonds5

About diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane

diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane (PubChem CID 12663672) has the molecular formula C11H10F7O2PS and a molecular weight of 370.23 g/mol. Its IUPAC name is diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane.

Molecular Properties

Compound Namediethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane
PubChem CID12663672
Molecular FormulaC11H10F7O2PS
Molecular Weight370.23 g/mol
Exact Mass370.00
IUPAC Namediethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane
SMILESCCOP(=S)(OCC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C11H10F7O2PS/c1-3-19-21(22,20-4-2)10-8(14)6(12)5(11(16,17)18)7(13)9(10)15/h3-4H2,1-2H3
InChIKeyGHQBCAWEAOIFPO-UHFFFAOYSA-N
XLogP4.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane?
The IUPAC name of diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane (CID 12663672) is diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane.
What is the SMILES notation for diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane?
The canonical SMILES for diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane is CCOP(=S)(OCC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane?
The InChIKey is GHQBCAWEAOIFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F7O2PS/c1-3-19-21(22,20-4-2)10-8(14)6(12)5(11(16,17)18)7(13)9(10)15/h3-4H2,1-2H3.
What are the key properties of diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane?
diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane has a molecular weight of 370.23 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-sulfanylidene-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-λ5-phosphane is sourced from PubChem (CID 12663672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).