difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane

C18H10Cl5F2P — CID 132520088

IUPACdifluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane
SMILESFP(F)(c1ccccc1)(c1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C18H10Cl5F2P/c19-13-14(20)16(22)18(17(23)15(13)21)26(24,25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyPMESXUFXLPXUOA-UHFFFAOYSA-N
MW472.51 g/mol
LogP7.55
Rot. Bonds3

About difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane

difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane (PubChem CID 132520088) has the molecular formula C18H10Cl5F2P and a molecular weight of 472.51 g/mol. Its IUPAC name is difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane.

Molecular Properties

Compound Namedifluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane
PubChem CID132520088
Molecular FormulaC18H10Cl5F2P
Molecular Weight472.51 g/mol
Exact Mass469.89
IUPAC Namedifluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane
SMILESFP(F)(c1ccccc1)(c1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C18H10Cl5F2P/c19-13-14(20)16(22)18(17(23)15(13)21)26(24,25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKeyPMESXUFXLPXUOA-UHFFFAOYSA-N
XLogP7.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.51
LogP ≤ 57.55
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 difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane?
The IUPAC name of difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane (CID 132520088) is difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane.
What is the SMILES notation for difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane?
The canonical SMILES for difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane is FP(F)(c1ccccc1)(c1ccccc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane?
The InChIKey is PMESXUFXLPXUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl5F2P/c19-13-14(20)16(22)18(17(23)15(13)21)26(24,25,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H.
What are the key properties of difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane?
difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane has a molecular weight of 472.51 g/mol, XLogP of 7.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(2,3,4,5,6-pentachlorophenyl)-diphenyl-λ5-phosphane is sourced from PubChem (CID 132520088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).