ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane

C14H11F2O3PS — CID 170529154

IUPACethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane
SMILESC=COP(=S)(Oc1ccc(F)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C14H11F2O3PS/c1-2-17-20(21,18-13-7-3-11(15)4-8-13)19-14-9-5-12(16)6-10-14/h2-10H,1H2
InChIKeyYNGQGENHGDMOPR-UHFFFAOYSA-N
MW328.28 g/mol
LogP4.81
Rot. Bonds6

About ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane

ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane (PubChem CID 170529154) has the molecular formula C14H11F2O3PS and a molecular weight of 328.28 g/mol. Its IUPAC name is ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nameethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane
PubChem CID170529154
Molecular FormulaC14H11F2O3PS
Molecular Weight328.28 g/mol
Exact Mass328.01
IUPAC Nameethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane
SMILESC=COP(=S)(Oc1ccc(F)cc1)Oc1ccc(F)cc1
InChIInChI=1S/C14H11F2O3PS/c1-2-17-20(21,18-13-7-3-11(15)4-8-13)19-14-9-5-12(16)6-10-14/h2-10H,1H2
InChIKeyYNGQGENHGDMOPR-UHFFFAOYSA-N
XLogP4.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(4-fluorophenoxy)-imino-methyl-λ5-phosphane
CID 101464521
(4-fluorophenoxy)methanedithioic acid
CID 102186802
1-[amino-(4-fluorophenoxy)phosphoryl]oxy-4-fluorobenzene
CID 5304101
tris(4-methoxyphenoxy)-sulfanylidene-λ5-phosphane
CID 101396180
bis(ethenyl) phenyl phosphate
CID 22119346
bis(4-fluorophenyl) (E)-but-2-enedioate
CID 175341971
1-diphenylphosphoryloxy-4-fluorobenzene
CID 23234465
(4-fluorophenyl) methyl hydrogen phosphate
CID 57282245
1,2,3,4,5-pentafluoro-6-(4-fluorophenoxy)benzene
CID 54083625
[4-(4-dimethylphosphinothioyloxyphenyl)phenoxy]-dimethyl-sulfanylidene-λ5-phosphane
CID 88814716
1,4-bis(diaminophosphinothioyloxy)benzene
CID 54536312
(4-fluorophenyl) hypobromite
CID 19745276

Frequently Asked Questions

What is the IUPAC name of ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane (CID 170529154) is ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane is C=COP(=S)(Oc1ccc(F)cc1)Oc1ccc(F)cc1.
What is the InChIKey of ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is YNGQGENHGDMOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2O3PS/c1-2-17-20(21,18-13-7-3-11(15)4-8-13)19-14-9-5-12(16)6-10-14/h2-10H,1H2.
What are the key properties of ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane?
ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 328.28 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenoxy-bis(4-fluorophenoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 170529154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).