tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane

C18F15PS — CID 632532

IUPACtris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane
SMILESFc1c(F)c(F)c(P(=S)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18F15PS/c19-1-4(22)10(28)16(11(29)5(1)23)34(35,17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33
InChIKeyZKXAGCHSURXSAS-UHFFFAOYSA-N
MW564.21 g/mol
LogP5.53
Rot. Bonds3

About tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane

tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane (PubChem CID 632532) has the molecular formula C18F15PS and a molecular weight of 564.21 g/mol. Its IUPAC name is tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Nametris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane
PubChem CID632532
Molecular FormulaC18F15PS
Molecular Weight564.21 g/mol
Exact Mass563.92
IUPAC Nametris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane
SMILESFc1c(F)c(F)c(P(=S)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18F15PS/c19-1-4(22)10(28)16(11(29)5(1)23)34(35,17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33
InChIKeyZKXAGCHSURXSAS-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.21
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane (CID 632532) is tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane is Fc1c(F)c(F)c(P(=S)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.
What is the InChIKey of tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane?
The InChIKey is ZKXAGCHSURXSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F15PS/c19-1-4(22)10(28)16(11(29)5(1)23)34(35,17-12(30)6(24)2(20)7(25)13(17)31)18-14(32)8(26)3(21)9(27)15(18)33.
What are the key properties of tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane?
tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane has a molecular weight of 564.21 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,3,4,5,6-pentafluorophenyl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 632532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).