methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane

C20H4F15P — CID 12866561

IUPACmethyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane
SMILESCP(=Cc1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H4F15P/c1-36(19-15(32)11(28)9(26)12(29)16(19)33,20-17(34)13(30)10(27)14(31)18(20)35)2-3-4(21)6(23)8(25)7(24)5(3)22/h2H,1H3
InChIKeyKRQWDVAQXQTSCJ-UHFFFAOYSA-N
MW560.20 g/mol
LogP6.22
Rot. Bonds3

About methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane

methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane (PubChem CID 12866561) has the molecular formula C20H4F15P and a molecular weight of 560.20 g/mol. Its IUPAC name is methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane.

Molecular Properties

Compound Namemethyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane
PubChem CID12866561
Molecular FormulaC20H4F15P
Molecular Weight560.20 g/mol
Exact Mass559.98
IUPAC Namemethyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane
SMILESCP(=Cc1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C20H4F15P/c1-36(19-15(32)11(28)9(26)12(29)16(19)33,20-17(34)13(30)10(27)14(31)18(20)35)2-3-4(21)6(23)8(25)7(24)5(3)22/h2H,1H3
InChIKeyKRQWDVAQXQTSCJ-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.20
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane?
The IUPAC name of methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane (CID 12866561) is methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane.
What is the SMILES notation for methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane?
The canonical SMILES for methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane is CP(=Cc1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane?
The InChIKey is KRQWDVAQXQTSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H4F15P/c1-36(19-15(32)11(28)9(26)12(29)16(19)33,20-17(34)13(30)10(27)14(31)18(20)35)2-3-4(21)6(23)8(25)7(24)5(3)22/h2H,1H3.
What are the key properties of methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane?
methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane has a molecular weight of 560.20 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-bis(2,3,4,5,6-pentafluorophenyl)-[(2,3,4,5,6-pentafluorophenyl)methylidene]-lambda5-phosphane is sourced from PubChem (CID 12866561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).