bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane

C16H16F2NOPS — CID 177036089

IUPACbis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane
SMILESFc1ccc(P(=S)(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C16H16F2NOPS/c17-13-1-5-15(6-2-13)21(22,19-9-11-20-12-10-19)16-7-3-14(18)4-8-16/h1-8H,9-12H2
InChIKeyWSZTZPBFFINWPV-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.64
Rot. Bonds3

About bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane

bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane (PubChem CID 177036089) has the molecular formula C16H16F2NOPS and a molecular weight of 339.35 g/mol. Its IUPAC name is bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane
PubChem CID177036089
Molecular FormulaC16H16F2NOPS
Molecular Weight339.35 g/mol
Exact Mass339.07
IUPAC Namebis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane
SMILESFc1ccc(P(=S)(c2ccc(F)cc2)N2CCOCC2)cc1
InChIInChI=1S/C16H16F2NOPS/c17-13-1-5-15(6-2-13)21(22,19-9-11-20-12-10-19)16-7-3-14(18)4-8-16/h1-8H,9-12H2
InChIKeyWSZTZPBFFINWPV-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane (CID 177036089) is bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane is Fc1ccc(P(=S)(c2ccc(F)cc2)N2CCOCC2)cc1.
What is the InChIKey of bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane?
The InChIKey is WSZTZPBFFINWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2NOPS/c17-13-1-5-15(6-2-13)21(22,19-9-11-20-12-10-19)16-7-3-14(18)4-8-16/h1-8H,9-12H2.
What are the key properties of bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane?
bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane has a molecular weight of 339.35 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-morpholin-4-yl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 177036089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).