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

C18F17P — CID 634133

IUPACdifluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane
SMILESFc1c(F)c(F)c(P(F)(F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18F17P/c19-1-4(22)10(28)16(11(29)5(1)23)36(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
InChIKeyXDWPDUDRIZDPJW-UHFFFAOYSA-N
MW570.14 g/mol
LogP6.37
Rot. Bonds3

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

difluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane (PubChem CID 634133) has the molecular formula C18F17P and a molecular weight of 570.14 g/mol. Its IUPAC name is difluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane.

Molecular Properties

Compound Namedifluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane
PubChem CID634133
Molecular FormulaC18F17P
Molecular Weight570.14 g/mol
Exact Mass569.95
IUPAC Namedifluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane
SMILESFc1c(F)c(F)c(P(F)(F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChIInChI=1S/C18F17P/c19-1-4(22)10(28)16(11(29)5(1)23)36(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
InChIKeyXDWPDUDRIZDPJW-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.14
LogP ≤ 56.37
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'}

Analyze difluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of difluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane?
The IUPAC name of difluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane (CID 634133) is difluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane.
What is the SMILES notation for difluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane?
The canonical SMILES for difluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane is Fc1c(F)c(F)c(P(F)(F)(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 difluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane?
The InChIKey is XDWPDUDRIZDPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18F17P/c19-1-4(22)10(28)16(11(29)5(1)23)36(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 difluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane?
difluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane has a molecular weight of 570.14 g/mol, XLogP of 6.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-tris(2,3,4,5,6-pentafluorophenyl)-lambda5-phosphane is sourced from PubChem (CID 634133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).