bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane

C18H26F5P — CID 22925407

IUPACbis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCCCC(C)(C)P(c1c(F)c(F)c(F)c(F)c1F)C(C)(C)CCC
InChIInChI=1S/C18H26F5P/c1-7-9-17(3,4)24(18(5,6)10-8-2)16-14(22)12(20)11(19)13(21)15(16)23/h7-10H2,1-6H3
InChIKeyYEGIADWRKCFDAG-UHFFFAOYSA-N
MW368.37 g/mol
LogP6.65
Rot. Bonds7

About bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane

bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane (PubChem CID 22925407) has the molecular formula C18H26F5P and a molecular weight of 368.37 g/mol. Its IUPAC name is bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane.

Molecular Properties

Compound Namebis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane
PubChem CID22925407
Molecular FormulaC18H26F5P
Molecular Weight368.37 g/mol
Exact Mass368.17
IUPAC Namebis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCCCC(C)(C)P(c1c(F)c(F)c(F)c(F)c1F)C(C)(C)CCC
InChIInChI=1S/C18H26F5P/c1-7-9-17(3,4)24(18(5,6)10-8-2)16-14(22)12(20)11(19)13(21)15(16)23/h7-10H2,1-6H3
InChIKeyYEGIADWRKCFDAG-UHFFFAOYSA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 56.65
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 bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
The IUPAC name of bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane (CID 22925407) is bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane.
What is the SMILES notation for bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
The canonical SMILES for bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane is CCCC(C)(C)P(c1c(F)c(F)c(F)c(F)c1F)C(C)(C)CCC.
What is the InChIKey of bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
The InChIKey is YEGIADWRKCFDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F5P/c1-7-9-17(3,4)24(18(5,6)10-8-2)16-14(22)12(20)11(19)13(21)15(16)23/h7-10H2,1-6H3.
What are the key properties of bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane?
bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane has a molecular weight of 368.37 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane is sourced from PubChem (CID 22925407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).